3565057
  -OEChem-05132405322D

 29 30  0     0  0  0  0  0  0999 V2000
    2.0000   -0.3512    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.6488    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.7320    0.6488    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7320    0.6488    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -3.3512    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    6.3301   -1.8512    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.6488    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5116    1.7420    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -2.3512    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    4.7026    3.1433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6808    3.3512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.1488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1808    2.4852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.3512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.8512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.8512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.8512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.8512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.3512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6378    3.7599    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0826    3.1433    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2472    3.6034    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4892    3.9409    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5956    2.0244    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6823    2.8496    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951    1.9588    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -0.5412    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -2.1612    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.9712    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 16  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  2  0  0  0  0
  2  7  1  0  0  0  0
  2 14  1  0  0  0  0
  5  9  1  0  0  0  0
  6  9  2  0  0  0  0
  7 12  1  0  0  0  0
  7 26  1  0  0  0  0
  8 12  2  0  0  0  0
  8 13  1  0  0  0  0
  9 17  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 10 20  1  0  0  0  0
 10 21  1  0  0  0  0
 11 13  1  0  0  0  0
 11 22  1  0  0  0  0
 11 23  1  0  0  0  0
 13 24  1  0  0  0  0
 13 25  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  2  0  0  0  0
 15 17  2  0  0  0  0
 15 27  1  0  0  0  0
 16 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18 19  2  0  0  0  0
 18 28  1  0  0  0  0
 19 29  1  0  0  0  0
M  CHG  2   5  -1   9   1
M  END
> <PUBCHEM_COMPOUND_CID>
3565057

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
482

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
5

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
3

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBzOABEAAAAAAAAAAAAAAAAAQAAAAAwAAAAAAAAAAABAAAAHAYUQAAACArBUCQxwYJQQAKhACZiZ3DCABEgBwAoiBgwZooIICKBk5GAIARgkAAIyAcQAAAAAABAACAAAIAAAIAAQAABAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
2-chloro-N-(3,4-dihydro-2H-pyrrol-5-yl)-5-nitro-benzenesulfonamide

> <PUBCHEM_IUPAC_CAS_NAME>
2-chloro-N-(3,4-dihydro-2H-pyrrol-5-yl)-5-nitrobenzenesulfonamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
2-chloro-<I>N</I>-(3,4-dihydro-2<I>H</I>-pyrrol-5-yl)-5-nitrobenzenesulfonamide

> <PUBCHEM_IUPAC_NAME>
2-chloro-N-(3,4-dihydro-2H-pyrrol-5-yl)-5-nitrobenzenesulfonamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
2-chloranyl-N-(3,4-dihydro-2H-pyrrol-5-yl)-5-nitro-benzenesulfonamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
2-chloro-5-nitro-N-(1-pyrrolin-2-yl)benzenesulfonamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C10H10ClN3O4S/c11-8-4-3-7(14(15)16)6-9(8)19(17,18)13-10-2-1-5-12-10/h3-4,6H,1-2,5H2,(H,12,13)

> <PUBCHEM_IUPAC_INCHIKEY>
PFTRWHWECUBZGP-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
1.1

> <PUBCHEM_EXACT_MASS>
303.0080547

> <PUBCHEM_MOLECULAR_FORMULA>
C10H10ClN3O4S

> <PUBCHEM_MOLECULAR_WEIGHT>
303.72

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1CC(=NC1)NS(=O)(=O)C2=C(C=CC(=C2)[N+](=O)[O-])Cl

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1CC(=NC1)NS(=O)(=O)C2=C(C=CC(=C2)[N+](=O)[O-])Cl

> <PUBCHEM_CACTVS_TPSA>
113

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
303.0080547

> <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>
14  15  8
14  16  8
15  17  8
16  18  8
17  19  8
18  19  8

$$$$