46947932
  -OEChem-04262415592D

 54 57  0     1  0  0  0  0  0999 V2000
   11.2329    2.5654    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    9.4072    3.3820    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.9879    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.9641   -1.8540    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9641   -0.1219    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5920   -1.9879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.4879    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.0084   -2.7927    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.9879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0084   -1.1832    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.8660   -0.4879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.9879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.9879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.4879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.9879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -1.4879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8184   -0.5968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -2.4879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5920   -1.9879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -1.4879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7010   -0.2316    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -0.9879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -2.9879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -2.4879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7156    0.3979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5257    0.9843    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8028    0.8062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4228    1.9790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7000    1.8009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5100    2.3873    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.3679    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2646   -0.0130    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4675   -0.0130    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9441   -2.5705    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3426   -1.8803    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7880   -0.4053    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3894   -1.0956    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4675   -2.9629    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2646   -2.9629    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3894   -1.8803    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7880   -2.5705    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.1321    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0893   -1.1545    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4147   -0.4270    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2910   -0.0410    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5105    0.3584    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1110   -0.4222    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -0.3679    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2010   -3.3820    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -3.6079    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7932   -2.7979    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0916    0.7311    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3006    0.4426    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1340    2.0541    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 28  1  0  0  0  0
  2 30  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  2  0  0  0  0
  3  7  1  0  0  0  0
  3 20  1  0  0  0  0
  6 19  2  0  0  0  0
  7  9  1  0  0  0  0
  7 42  1  0  0  0  0
  8 18  1  0  0  0  0
  8 19  1  0  0  0  0
  8 49  1  0  0  0  0
  9 11  1  0  0  0  0
  9 12  1  0  0  0  0
  9 31  1  0  0  0  0
 10 16  1  0  0  0  0
 10 17  1  0  0  0  0
 10 19  1  0  0  0  0
 10 21  1  0  0  0  0
 11 13  1  0  0  0  0
 11 32  1  0  0  0  0
 11 33  1  0  0  0  0
 12 14  1  0  0  0  0
 12 34  1  0  0  0  0
 12 35  1  0  0  0  0
 13 15  1  0  0  0  0
 13 36  1  0  0  0  0
 13 37  1  0  0  0  0
 14 15  1  0  0  0  0
 14 38  1  0  0  0  0
 14 39  1  0  0  0  0
 15 40  1  0  0  0  0
 15 41  1  0  0  0  0
 16 18  2  0  0  0  0
 16 22  1  0  0  0  0
 17 25  1  0  0  0  0
 17 43  1  0  0  0  0
 17 44  1  0  0  0  0
 18 23  1  0  0  0  0
 20 22  2  0  0  0  0
 20 24  1  0  0  0  0
 21 45  1  0  0  0  0
 21 46  1  0  0  0  0
 21 47  1  0  0  0  0
 22 48  1  0  0  0  0
 23 24  2  0  0  0  0
 23 50  1  0  0  0  0
 24 51  1  0  0  0  0
 25 26  2  0  0  0  0
 25 27  1  0  0  0  0
 26 28  1  0  0  0  0
 26 52  1  0  0  0  0
 27 29  2  0  0  0  0
 27 53  1  0  0  0  0
 28 30  2  0  0  0  0
 29 30  1  0  0  0  0
 29 54  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
46947932

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
737

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
5

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7MABGAAAAAAAAAAAAAAAAAWAAAAAwYMAAAAAAAFgBQAAAHgYQQAAADirB2CQywYLAAAKIAiVSUHDCABAhBwAIitkAZogIIDLBl5GEIAhglADIyAcciMCPhAQAoAACAAQICAFAAAQACAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N-cyclohexyl-3-[(3,4-dichlorophenyl)methyl]-3-methyl-2-oxo-indoline-5-sulfonamide

> <PUBCHEM_IUPAC_CAS_NAME>
N-cyclohexyl-3-[(3,4-dichlorophenyl)methyl]-3-methyl-2-oxo-1H-indole-5-sulfonamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
<I>N</I>-cyclohexyl-3-[(3,4-dichlorophenyl)methyl]-3-methyl-2-oxo-1<I>H</I>-indole-5-sulfonamide

> <PUBCHEM_IUPAC_NAME>
N-cyclohexyl-3-[(3,4-dichlorophenyl)methyl]-3-methyl-2-oxo-1H-indole-5-sulfonamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N-cyclohexyl-3-[(3,4-dichlorophenyl)methyl]-3-methyl-2-oxidanylidene-1H-indole-5-sulfonamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
N-cyclohexyl-3-(3,4-dichlorobenzyl)-2-keto-3-methyl-indoline-5-sulfonamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C22H24Cl2N2O3S/c1-22(13-14-7-9-18(23)19(24)11-14)17-12-16(8-10-20(17)25-21(22)27)30(28,29)26-15-5-3-2-4-6-15/h7-12,15,26H,2-6,13H2,1H3,(H,25,27)

> <PUBCHEM_IUPAC_INCHIKEY>
ALDVKAXQFVDGPL-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
5.2

> <PUBCHEM_EXACT_MASS>
466.0884692

> <PUBCHEM_MOLECULAR_FORMULA>
C22H24Cl2N2O3S

> <PUBCHEM_MOLECULAR_WEIGHT>
467.4

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1(C2=C(C=CC(=C2)S(=O)(=O)NC3CCCCC3)NC1=O)CC4=CC(=C(C=C4)Cl)Cl

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1(C2=C(C=CC(=C2)S(=O)(=O)NC3CCCCC3)NC1=O)CC4=CC(=C(C=C4)Cl)Cl

> <PUBCHEM_CACTVS_TPSA>
83.6

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
466.0884692

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
30

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
1

> <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>
10  21  3
16  18  8
16  22  8
18  23  8
20  22  8
20  24  8
23  24  8
25  26  8
25  27  8
26  28  8
27  29  8
28  30  8
29  30  8

$$$$