6539046
  -OEChem-04262421112D

 38 40  0     0  0  0  0  0  0999 V2000
    7.2101    2.8728    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.2619   -2.8907    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1606    2.5622    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2596    3.1835    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783   -3.6955    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9674   -0.9293    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.5208    3.8233    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783   -2.0860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.3907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.3907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9889   -1.1355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2619   -2.8907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.8907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2781    0.0212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.8907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3211   -0.3912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8994    1.9223    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.3907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6103    0.7656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2566    0.2275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.3907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9209    1.7161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5673    1.1780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8709   -4.2848    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3815   -1.3907    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.2707    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -4.5107    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7826    0.0229    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9070    0.0703    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8596   -0.8053    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -2.0807    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0036    0.6377    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6707   -0.2340    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -3.7007    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5069    2.1775    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1739    1.3058    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1274    3.9512    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1067    4.2848    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  7  1  0  0  0  0
  1 17  1  0  0  0  0
  2 12  2  0  0  0  0
  5 10  1  0  0  0  0
  5 12  1  0  0  0  0
  5 24  1  0  0  0  0
  6 11  1  0  0  0  0
  6 14  1  0  0  0  0
  6 25  1  0  0  0  0
  7 37  1  0  0  0  0
  7 38  1  0  0  0  0
  8  9  1  0  0  0  0
  8 11  2  0  0  0  0
  8 12  1  0  0  0  0
  9 10  1  0  0  0  0
  9 13  2  0  0  0  0
 10 15  2  0  0  0  0
 11 16  1  0  0  0  0
 13 18  1  0  0  0  0
 13 26  1  0  0  0  0
 14 19  2  0  0  0  0
 14 20  1  0  0  0  0
 15 21  1  0  0  0  0
 15 27  1  0  0  0  0
 16 28  1  0  0  0  0
 16 29  1  0  0  0  0
 16 30  1  0  0  0  0
 17 22  2  0  0  0  0
 17 23  1  0  0  0  0
 18 21  2  0  0  0  0
 18 31  1  0  0  0  0
 19 22  1  0  0  0  0
 19 32  1  0  0  0  0
 20 23  2  0  0  0  0
 20 33  1  0  0  0  0
 21 34  1  0  0  0  0
 22 35  1  0  0  0  0
 23 36  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
6539046

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
601

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
5

> <PUBCHEM_CACTVS_HBOND_DONOR>
3

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
3

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccB7MABAAAAAAAAAAAAAAAAAAWAAAAAwYAAAAAAAAFgBQAAAHgQQQAAADAiB2AAywYLAAAKIAiVSUHDCABAhAgAIiBkAZMgIIDLAlZGEIAhglADIyUcciICOAAQAAAACAAAACAAAAAQAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
4-[[(1Z)-1-(2-oxoindolin-3-ylidene)ethyl]amino]benzenesulfonamide

> <PUBCHEM_IUPAC_CAS_NAME>
4-[[(1Z)-1-(2-oxo-1H-indol-3-ylidene)ethyl]amino]benzenesulfonamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
4-[[(1<I>Z</I>)-1-(2-oxo-1<I>H</I>-indol-3-ylidene)ethyl]amino]benzenesulfonamide

> <PUBCHEM_IUPAC_NAME>
4-[[(1Z)-1-(2-oxo-1H-indol-3-ylidene)ethyl]amino]benzenesulfonamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
4-[[(1Z)-1-(2-oxidanylidene-1H-indol-3-ylidene)ethyl]amino]benzenesulfonamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
4-[[(1Z)-1-(2-ketoindolin-3-ylidene)ethyl]amino]benzenesulfonamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C16H15N3O3S/c1-10(15-13-4-2-3-5-14(13)19-16(15)20)18-11-6-8-12(9-7-11)23(17,21)22/h2-9,18H,1H3,(H,19,20)(H2,17,21,22)/b15-10-

> <PUBCHEM_IUPAC_INCHIKEY>
ZQAZHQLWCKQXTD-GDNBJRDFSA-N

> <PUBCHEM_XLOGP3_AA>
1.5

> <PUBCHEM_EXACT_MASS>
329.08341252

> <PUBCHEM_MOLECULAR_FORMULA>
C16H15N3O3S

> <PUBCHEM_MOLECULAR_WEIGHT>
329.4

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC(=C1C2=CC=CC=C2NC1=O)NC3=CC=C(C=C3)S(=O)(=O)N

> <PUBCHEM_OPENEYE_ISO_SMILES>
C/C(=C/1\C2=CC=CC=C2NC1=O)/NC3=CC=C(C=C3)S(=O)(=O)N

> <PUBCHEM_CACTVS_TPSA>
110

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
329.08341252

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
23

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
1

> <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  15  8
13  18  8
14  19  8
14  20  8
15  21  8
17  22  8
17  23  8
18  21  8
19  22  8
20  23  8
9  10  8
9  13  8

$$$$