66895
  -OEChem-05082408152D

 33 34  0     0  0  0  0  0  0999 V2000
    3.4030    1.5000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.9030    0.6340    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9030    2.3660    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -0.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    2.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651    1.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.1972   -2.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3312   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3312   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    2.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5380    1.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -1.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8681   -0.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -1.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651   -2.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.6900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    2.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0021    1.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    1.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1972   -2.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7341   -1.6900    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  6  1  0  0  0  0
  1  9  1  0  0  0  0
  4  5  2  0  0  0  0
  4 12  1  0  0  0  0
  5 15  1  0  0  0  0
  6 28  1  0  0  0  0
  6 29  1  0  0  0  0
  7 16  1  0  0  0  0
  7 30  1  0  0  0  0
  7 31  1  0  0  0  0
  8 17  1  0  0  0  0
  8 32  1  0  0  0  0
  8 33  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 10 13  1  0  0  0  0
 10 21  1  0  0  0  0
 11 14  2  0  0  0  0
 11 22  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 13 23  1  0  0  0  0
 14 24  1  0  0  0  0
 15 16  2  0  0  0  0
 15 19  1  0  0  0  0
 16 18  1  0  0  0  0
 17 18  2  0  0  0  0
 17 20  1  0  0  0  0
 18 25  1  0  0  0  0
 19 20  2  0  0  0  0
 19 26  1  0  0  0  0
 20 27  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
66895

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
439

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
7

> <PUBCHEM_CACTVS_HBOND_DONOR>
3

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
3

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBzsABAAAAAAAAAAAAAAAAAAAAAAAAwYAAAAAAAAAABQAAAHAQYQAAACAiBUAAwwYBAAAKCACRCQHDCABAgAgAIiBgAdIgIYCKA0dGAIABgkAAIyAcQAAAAAASAAAQAACAACQAACAAAQAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
4-(2,4-diaminophenyl)azobenzenesulfonamide

> <PUBCHEM_IUPAC_CAS_NAME>
4-(2,4-diaminophenyl)azobenzenesulfonamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
4-[(2,4-diaminophenyl)diazenyl]benzenesulfonamide

> <PUBCHEM_IUPAC_NAME>
4-[(2,4-diaminophenyl)diazenyl]benzenesulfonamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
4-[[2,4-bis(azanyl)phenyl]diazenyl]benzenesulfonamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
4-(2,4-diaminophenyl)azobenzenesulfonamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C12H13N5O2S/c13-8-1-6-12(11(14)7-8)17-16-9-2-4-10(5-3-9)20(15,18)19/h1-7H,13-14H2,(H2,15,18,19)

> <PUBCHEM_IUPAC_INCHIKEY>
ABBQGOCHXSPKHJ-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
0.9

> <PUBCHEM_EXACT_MASS>
291.07899585

> <PUBCHEM_MOLECULAR_FORMULA>
C12H13N5O2S

> <PUBCHEM_MOLECULAR_WEIGHT>
291.33

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CC(=CC=C1N=NC2=C(C=C(C=C2)N)N)S(=O)(=O)N

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=CC(=CC=C1N=NC2=C(C=C(C=C2)N)N)S(=O)(=O)N

> <PUBCHEM_CACTVS_TPSA>
145

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
291.07899585

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
20

> <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
11  14  8
12  13  8
12  14  8
15  16  8
15  19  8
16  18  8
17  18  8
17  20  8
19  20  8
9  10  8
9  11  8

$$$$