43761191
  -OEChem-05072422222D

 31 32  0     0  0  0  0  0  0999 V2000
    3.6750    3.7257    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.6180   -2.3621    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6750    3.7257    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6750    3.7257    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4901   -5.0357    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    4.8913   -4.0176    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6750   -0.2743    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6750    4.7257    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8968   -4.1222    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    2.8090   -0.7743    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6750    0.7257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6750    2.7257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8090   -1.7743    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8090    1.2257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5411    1.2257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8090    2.2257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5411    2.2257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.3621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3090   -3.3131    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3090   -3.3131    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5970   -0.1917    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1984   -0.8820    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2120   -0.5843    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2721    0.9157    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0780    0.9157    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2721    2.5357    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0780    2.5357    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4103   -2.1705    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9446   -3.8147    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2120    5.0357    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1381    5.0357    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  8  1  0  0  0  0
  1 12  1  0  0  0  0
  2 13  1  0  0  0  0
  2 20  1  0  0  0  0
  5  9  1  0  0  0  0
  6  9  2  0  0  0  0
  7 10  1  0  0  0  0
  7 11  1  0  0  0  0
  7 23  1  0  0  0  0
  8 30  1  0  0  0  0
  8 31  1  0  0  0  0
  9 20  1  0  0  0  0
 10 13  1  0  0  0  0
 10 21  1  0  0  0  0
 10 22  1  0  0  0  0
 11 14  2  0  0  0  0
 11 15  1  0  0  0  0
 12 16  2  0  0  0  0
 12 17  1  0  0  0  0
 13 18  2  0  0  0  0
 14 16  1  0  0  0  0
 14 24  1  0  0  0  0
 15 17  2  0  0  0  0
 15 25  1  0  0  0  0
 16 26  1  0  0  0  0
 17 27  1  0  0  0  0
 18 19  1  0  0  0  0
 18 28  1  0  0  0  0
 19 20  2  0  0  0  0
 19 29  1  0  0  0  0
M  CHG  2   5  -1   9   1
M  END
> <PUBCHEM_COMPOUND_CID>
43761191

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
436

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
7

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
4

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBzOABAAAAAAAAAAAAAAAAAASAAAAAwAAAAAAAAAAABwAAAHgQUQAAACAzB0AQwxYLQREKJAKVSU3DCCBAtIgAoiJmObMoOJjLEtbuPOSjk0BHY6Ye8EQIAAAQAAAAAAAAACAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
4-[(5-nitro-2-furyl)methylamino]benzenesulfonamide

> <PUBCHEM_IUPAC_CAS_NAME>
4-[(5-nitro-2-furanyl)methylamino]benzenesulfonamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
4-[(5-nitrofuran-2-yl)methylamino]benzenesulfonamide

> <PUBCHEM_IUPAC_NAME>
4-[(5-nitrofuran-2-yl)methylamino]benzenesulfonamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
4-[(5-nitrofuran-2-yl)methylamino]benzenesulfonamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
4-[(5-nitro-2-furyl)methylamino]benzenesulfonamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C11H11N3O5S/c12-20(17,18)10-4-1-8(2-5-10)13-7-9-3-6-11(19-9)14(15)16/h1-6,13H,7H2,(H2,12,17,18)

> <PUBCHEM_IUPAC_INCHIKEY>
CDJQUHXDJBLANV-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
1.2

> <PUBCHEM_EXACT_MASS>
297.04194163

> <PUBCHEM_MOLECULAR_FORMULA>
C11H11N3O5S

> <PUBCHEM_MOLECULAR_WEIGHT>
297.29

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CC(=CC=C1NCC2=CC=C(O2)[N+](=O)[O-])S(=O)(=O)N

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=CC(=CC=C1NCC2=CC=C(O2)[N+](=O)[O-])S(=O)(=O)N

> <PUBCHEM_CACTVS_TPSA>
140

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
297.04194163

> <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>
11  14  8
11  15  8
12  16  8
12  17  8
13  18  8
14  16  8
15  17  8
18  19  8
19  20  8
2  13  8
2  20  8

$$$$