3025920
  -OEChem-04242423572D

 30 32  0     0  0  0  0  0  0999 V2000
    4.9889   -0.0482    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.9394   -0.3588    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0384    0.2625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783   -0.9987    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783   -2.6081    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2619   -1.8034    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.3034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.3034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2619   -1.8034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2996    0.9024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.8034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.8034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6318    1.6467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2781    1.1086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.3034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.3034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9424    2.5972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5888    2.0591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9209    2.8034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.1834    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.4234    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0251    1.5188    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6922    0.6471    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -0.9934    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -2.6134    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5719   -2.3403    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5719   -1.2665    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5284    3.0587    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1954    2.1870    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1135    3.3927    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  1 10  1  0  0  0  0
  4  7  1  0  0  0  0
  4  9  1  0  0  0  0
  5  8  1  0  0  0  0
  5  9  2  0  0  0  0
  6  9  1  0  0  0  0
  6 26  1  0  0  0  0
  6 27  1  0  0  0  0
  7  8  1  0  0  0  0
  7 11  2  0  0  0  0
  8 12  2  0  0  0  0
 10 13  2  0  0  0  0
 10 14  1  0  0  0  0
 11 15  1  0  0  0  0
 11 20  1  0  0  0  0
 12 16  1  0  0  0  0
 12 21  1  0  0  0  0
 13 17  1  0  0  0  0
 13 22  1  0  0  0  0
 14 18  2  0  0  0  0
 14 23  1  0  0  0  0
 15 16  2  0  0  0  0
 15 24  1  0  0  0  0
 16 25  1  0  0  0  0
 17 19  2  0  0  0  0
 17 28  1  0  0  0  0
 18 19  1  0  0  0  0
 18 29  1  0  0  0  0
 19 30  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
3025920

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
414

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
2

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBzMABAAAAAAAAAAAAAAAAAAWAAAAAwYAAAAAAAAFgB9AAAHAQQQAAACAiBVgAx0bZIEAKgASRiZHDCgD0hEqAJmDgwdJiIaKLAmZGUIAhogAJIyCcQAAAAAAAAAAAAACAAAAAAAAAAQAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
1-(benzenesulfonyl)benzimidazol-2-amine

> <PUBCHEM_IUPAC_CAS_NAME>
1-(benzenesulfonyl)-2-benzimidazolamine

> <PUBCHEM_IUPAC_NAME_MARKUP>
1-(benzenesulfonyl)benzimidazol-2-amine

> <PUBCHEM_IUPAC_NAME>
1-(benzenesulfonyl)benzimidazol-2-amine

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
1-(phenylsulfonyl)benzimidazol-2-amine

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(1-besylbenzimidazol-2-yl)amine

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C13H11N3O2S/c14-13-15-11-8-4-5-9-12(11)16(13)19(17,18)10-6-2-1-3-7-10/h1-9H,(H2,14,15)

> <PUBCHEM_IUPAC_INCHIKEY>
KNZWBHGWTXXRTB-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3>
2.3

> <PUBCHEM_EXACT_MASS>
273.05719778

> <PUBCHEM_MOLECULAR_FORMULA>
C13H11N3O2S

> <PUBCHEM_MOLECULAR_WEIGHT>
273.31

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CC=C(C=C1)S(=O)(=O)N2C3=CC=CC=C3N=C2N

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=CC=C(C=C1)S(=O)(=O)N2C3=CC=CC=C3N=C2N

> <PUBCHEM_CACTVS_TPSA>
86.4

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
273.05719778

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
19

> <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>
10  13  8
10  14  8
11  15  8
12  16  8
13  17  8
14  18  8
15  16  8
17  19  8
18  19  8
4  7  8
4  9  8
5  8  8
5  9  8
7  11  8
7  8  8
8  12  8

$$$$