118986699
  -OEChem-09272320542D

 66 70  0     0  0  0  0  0  0999 V2000
    5.2987   -0.4054    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   12.3081   -0.4054    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.0870   -1.3828    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5103    0.5719    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.5197   -1.3828    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0964    0.5719    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6694    2.0071    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3213   -0.1938    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.2854   -0.1938    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.8034    1.5071    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6493   -0.9343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9574   -0.9343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6720   -0.7226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9547   -1.8866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6520   -1.8866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9347   -0.7226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.4632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2827   -2.6271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3240   -2.6271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6067   -1.4632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3053   -2.4154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3014   -2.4154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2760   -0.6171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3307   -0.6171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9943   -0.0807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6124   -0.0807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3034   -1.0317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3034   -1.0317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9789    0.1516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6278    0.1516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8034    0.5071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5979   -1.6078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0088   -1.6078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6184   -1.8165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9883   -1.8165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4600   -0.3439    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.1467   -0.3439    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9065   -0.1487    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1475   -0.3921    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3345   -2.3766    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5032   -1.5976    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.1035   -1.5976    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.2722   -2.3766    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.4592   -0.3921    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.7003   -0.1487    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6202   -0.9732    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4514   -1.7522    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0482   -3.2011    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8072   -2.9577    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.7995   -2.9577    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.5585   -3.2011    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.1553   -1.7522    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.9865   -0.9732    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6910   -2.4994    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2813   -3.0350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.3254   -3.0350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.9157   -2.4994    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1320    0.3966    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.4747    0.3966    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7942    0.7434    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8125    0.7434    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1848   -2.0701    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4219   -2.0701    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8168   -2.4039    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7899   -2.4039    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6694    2.6271    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  2  0  0  0  0
  1  4  2  0  0  0  0
  1  8  1  0  0  0  0
  1 23  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  2  0  0  0  0
  2  9  1  0  0  0  0
  2 24  1  0  0  0  0
  7 10  1  0  0  0  0
  7 66  1  0  0  0  0
  8 11  1  0  0  0  0
  8 58  1  0  0  0  0
  9 12  1  0  0  0  0
  9 59  1  0  0  0  0
 10 31  2  0  0  0  0
 11 13  1  0  0  0  0
 11 14  1  0  0  0  0
 11 36  1  0  0  0  0
 12 15  1  0  0  0  0
 12 16  1  0  0  0  0
 12 37  1  0  0  0  0
 13 17  1  0  0  0  0
 13 38  1  0  0  0  0
 13 39  1  0  0  0  0
 14 18  1  0  0  0  0
 14 40  1  0  0  0  0
 14 41  1  0  0  0  0
 15 19  1  0  0  0  0
 15 42  1  0  0  0  0
 15 43  1  0  0  0  0
 16 20  1  0  0  0  0
 16 44  1  0  0  0  0
 16 45  1  0  0  0  0
 17 21  1  0  0  0  0
 17 46  1  0  0  0  0
 17 47  1  0  0  0  0
 18 21  1  0  0  0  0
 18 48  1  0  0  0  0
 18 49  1  0  0  0  0
 19 22  1  0  0  0  0
 19 50  1  0  0  0  0
 19 51  1  0  0  0  0
 20 22  1  0  0  0  0
 20 52  1  0  0  0  0
 20 53  1  0  0  0  0
 21 54  1  0  0  0  0
 21 55  1  0  0  0  0
 22 56  1  0  0  0  0
 22 57  1  0  0  0  0
 23 29  2  0  0  0  0
 23 32  1  0  0  0  0
 24 30  2  0  0  0  0
 24 33  1  0  0  0  0
 25 27  2  0  0  0  0
 25 29  1  0  0  0  0
 25 31  1  0  0  0  0
 26 28  2  0  0  0  0
 26 30  1  0  0  0  0
 26 31  1  0  0  0  0
 27 28  1  0  0  0  0
 27 34  1  0  0  0  0
 28 35  1  0  0  0  0
 29 60  1  0  0  0  0
 30 61  1  0  0  0  0
 32 34  2  0  0  0  0
 32 62  1  0  0  0  0
 33 35  2  0  0  0  0
 33 63  1  0  0  0  0
 34 64  1  0  0  0  0
 35 65  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
118986699

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
900

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
8

> <PUBCHEM_CACTVS_HBOND_DONOR>
3

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
6

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7OABgAAAAAAAAAAAAAAAAAYAAAAAwYMGAAAAAAGABQAAAHAQUSAAADCjBWAQwAYBQAAKgAyBiAHBCABAgAAAIiJggAJgIIKKAkRCAIAAgkAAIiAcQgMAOkAAAgAAQAAAgAAEAACAAAQAACAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N2,N7-dicyclohexyl-9-hydroxyimino-fluorene-2,7-disulfonamide

> <PUBCHEM_IUPAC_CAS_NAME>
N2,N7-dicyclohexyl-9-hydroxyiminofluorene-2,7-disulfonamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
2-<I>N</I>,7-<I>N</I>-dicyclohexyl-9-hydroxyiminofluorene-2,7-disulfonamide

> <PUBCHEM_IUPAC_NAME>
2-N,7-N-dicyclohexyl-9-hydroxyiminofluorene-2,7-disulfonamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N2,N7-dicyclohexyl-9-hydroxyimino-fluorene-2,7-disulfonamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
N,N'-dicyclohexyl-9-hydroximino-fluorene-2,7-disulfonamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C25H31N3O5S2/c29-26-25-23-15-19(34(30,31)27-17-7-3-1-4-8-17)11-13-21(23)22-14-12-20(16-24(22)25)35(32,33)28-18-9-5-2-6-10-18/h11-18,27-29H,1-10H2

> <PUBCHEM_IUPAC_INCHIKEY>
JLCFMMIWBSZOIS-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
4.9

> <PUBCHEM_EXACT_MASS>
517.17051344

> <PUBCHEM_MOLECULAR_FORMULA>
C25H31N3O5S2

> <PUBCHEM_MOLECULAR_WEIGHT>
517.7

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1CCC(CC1)NS(=O)(=O)C2=CC3=C(C=C2)C4=C(C3=NO)C=C(C=C4)S(=O)(=O)NC5CCCCC5

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1CCC(CC1)NS(=O)(=O)C2=CC3=C(C=C2)C4=C(C3=NO)C=C(C=C4)S(=O)(=O)NC5CCCCC5

> <PUBCHEM_CACTVS_TPSA>
142

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
517.17051344

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
35

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
23  29  8
23  32  8
24  30  8
24  33  8
25  27  8
25  29  8
26  28  8
26  30  8
27  34  8
28  35  8
32  34  8
33  35  8

$$$$