8883872
  -OEChem-05062413332D

 42 43  0     0  0  0  0  0  0999 V2000
    7.0820    2.4625    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.0820    2.4625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0820    2.4625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3794   -3.0320    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2160   -2.0375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -4.2580    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.5823   -4.9625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0820    3.4625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3500   -0.5375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9945   -4.1535    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    7.9480    3.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2160    3.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0820    1.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2160    0.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9480    4.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2160    4.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9480    0.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2160   -0.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9480   -0.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0820   -0.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3500   -1.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4839   -2.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5704   -1.6308    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4013   -3.2399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9013   -2.3739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1601    3.3799    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5586    4.0702    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6054    4.0702    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0039    3.3799    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6790    1.2725    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4850    1.2725    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5680    4.9625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9480    5.5825    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3280    4.9625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8360    4.9625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2160    5.5825    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5960    4.9625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4850   -0.3475    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0820   -1.1575    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8130   -0.2275    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4415   -1.0243    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2846   -2.3091    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  8  1  0  0  0  0
  1 13  1  0  0  0  0
  4 22  1  0  0  0  0
  4 24  1  0  0  0  0
  5 21  2  0  0  0  0
  6 10  1  0  0  0  0
  7 10  2  0  0  0  0
  8 11  1  0  0  0  0
  8 12  1  0  0  0  0
  9 18  1  0  0  0  0
  9 21  1  0  0  0  0
  9 40  1  0  0  0  0
 10 24  1  0  0  0  0
 11 15  1  0  0  0  0
 11 26  1  0  0  0  0
 11 27  1  0  0  0  0
 12 16  1  0  0  0  0
 12 28  1  0  0  0  0
 12 29  1  0  0  0  0
 13 14  1  0  0  0  0
 13 17  2  0  0  0  0
 14 18  2  0  0  0  0
 14 30  1  0  0  0  0
 15 32  1  0  0  0  0
 15 33  1  0  0  0  0
 15 34  1  0  0  0  0
 16 35  1  0  0  0  0
 16 36  1  0  0  0  0
 16 37  1  0  0  0  0
 17 19  1  0  0  0  0
 17 31  1  0  0  0  0
 18 20  1  0  0  0  0
 19 20  2  0  0  0  0
 19 38  1  0  0  0  0
 20 39  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 25  1  0  0  0  0
 23 41  1  0  0  0  0
 24 25  2  0  0  0  0
 25 42  1  0  0  0  0
M  CHG  2   6  -1  10   1
M  END
> <PUBCHEM_COMPOUND_CID>
8883872

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
581

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
7

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
6

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceBzOABAAAAAAAAAAAAAAAAAASAAAAAwAAAAAAAAAAABwAAAHgQUQAAACAzB0AQyxYLQREKJAKVSU3LCCBAtIgAoiBnObMoOJjLEtb+POSzk1BHY6Ye8FwIAAAAAACAAAAAAAAAAQAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N-[3-(diethylsulfamoyl)phenyl]-5-nitro-furan-2-carboxamide

> <PUBCHEM_IUPAC_CAS_NAME>
N-[3-(diethylsulfamoyl)phenyl]-5-nitro-2-furancarboxamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
<I>N</I>-[3-(diethylsulfamoyl)phenyl]-5-nitrofuran-2-carboxamide

> <PUBCHEM_IUPAC_NAME>
N-[3-(diethylsulfamoyl)phenyl]-5-nitrofuran-2-carboxamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N-[3-(diethylsulfamoyl)phenyl]-5-nitro-furan-2-carboxamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
N-[3-(diethylsulfamoyl)phenyl]-5-nitro-2-furamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C15H17N3O6S/c1-3-17(4-2)25(22,23)12-7-5-6-11(10-12)16-15(19)13-8-9-14(24-13)18(20)21/h5-10H,3-4H2,1-2H3,(H,16,19)

> <PUBCHEM_IUPAC_INCHIKEY>
VGQXLGFTYXSAEL-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
2.2

> <PUBCHEM_EXACT_MASS>
367.08380644

> <PUBCHEM_MOLECULAR_FORMULA>
C15H17N3O6S

> <PUBCHEM_MOLECULAR_WEIGHT>
367.4

> <PUBCHEM_OPENEYE_CAN_SMILES>
CCN(CC)S(=O)(=O)C1=CC=CC(=C1)NC(=O)C2=CC=C(O2)[N+](=O)[O-]

> <PUBCHEM_OPENEYE_ISO_SMILES>
CCN(CC)S(=O)(=O)C1=CC=CC(=C1)NC(=O)C2=CC=C(O2)[N+](=O)[O-]

> <PUBCHEM_CACTVS_TPSA>
134

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
367.08380644

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
25

> <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>
13  14  8
13  17  8
14  18  8
17  19  8
18  20  8
19  20  8
22  23  8
23  25  8
24  25  8
4  22  8
4  24  8

$$$$