25237401
  -OEChem-05052412222D

 35 36  0     0  0  0  0  0  0999 V2000
    5.1650    0.1488    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.1650    0.1488    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1650    0.1488    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2514    2.7420    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    4.1897    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.1810    2.4671    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1650    1.1488    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0310    1.6488    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5878    3.3807    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    5.1650   -2.8512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1650   -0.8512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1650   -3.8512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2990   -2.3512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0310   -2.3512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2990   -1.3512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0310   -1.3512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2990   -4.3512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1650    3.1488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0310    2.6488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0604    4.1433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5823    3.4852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0823    4.3512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3770   -4.4338    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7756   -3.7436    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7620   -2.6612    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5679   -2.6612    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7620   -1.0412    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5679   -1.0412    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9890   -3.8143    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7620   -4.6612    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6090   -4.8882    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6280    1.4588    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5679    2.9588    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5212    4.5582    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8301    4.9176    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  7  1  0  0  0  0
  1 11  1  0  0  0  0
  4 18  1  0  0  0  0
  4 21  1  0  0  0  0
  5  9  1  0  0  0  0
  6  9  2  0  0  0  0
  7  8  1  0  0  0  0
  7 32  1  0  0  0  0
  8 19  2  0  0  0  0
  9 21  1  0  0  0  0
 10 12  1  0  0  0  0
 10 13  2  0  0  0  0
 10 14  1  0  0  0  0
 11 15  2  0  0  0  0
 11 16  1  0  0  0  0
 12 17  1  0  0  0  0
 12 23  1  0  0  0  0
 12 24  1  0  0  0  0
 13 15  1  0  0  0  0
 13 25  1  0  0  0  0
 14 16  2  0  0  0  0
 14 26  1  0  0  0  0
 15 27  1  0  0  0  0
 16 28  1  0  0  0  0
 17 29  1  0  0  0  0
 17 30  1  0  0  0  0
 17 31  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  2  0  0  0  0
 19 33  1  0  0  0  0
 20 22  1  0  0  0  0
 20 34  1  0  0  0  0
 21 22  2  0  0  0  0
 22 35  1  0  0  0  0
M  CHG  2   5  -1   9   1
M  END
> <PUBCHEM_COMPOUND_CID>
25237401

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
503

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
7

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
5

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBzOABAAAAAAAAAAAAAAAAAASAAAAAwAAAAAAAAAAABwAAAHgQcQAAADATB2AQyhYASREKpArFzU3TCCBAsIgAoiBkmbNoMJrKEtZuKOSDkwBEI6Ye8gIAOEAAAAAAAAAAgAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
4-ethyl-N-[(Z)-(5-nitro-2-furyl)methyleneamino]benzenesulfonamide

> <PUBCHEM_IUPAC_CAS_NAME>
4-ethyl-N-[(Z)-(5-nitro-2-furanyl)methylideneamino]benzenesulfonamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
4-ethyl-<I>N</I>-[(<I>Z</I>)-(5-nitrofuran-2-yl)methylideneamino]benzenesulfonamide

> <PUBCHEM_IUPAC_NAME>
4-ethyl-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]benzenesulfonamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
4-ethyl-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]benzenesulfonamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
4-ethyl-N-[(Z)-(5-nitro-2-furyl)methyleneamino]benzenesulfonamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C13H13N3O5S/c1-2-10-3-6-12(7-4-10)22(19,20)15-14-9-11-5-8-13(21-11)16(17)18/h3-9,15H,2H2,1H3/b14-9-

> <PUBCHEM_IUPAC_INCHIKEY>
TVFIOQIZQONSJA-ZROIWOOFSA-N

> <PUBCHEM_XLOGP3_AA>
2.9

> <PUBCHEM_EXACT_MASS>
323.05759170

> <PUBCHEM_MOLECULAR_FORMULA>
C13H13N3O5S

> <PUBCHEM_MOLECULAR_WEIGHT>
323.33

> <PUBCHEM_OPENEYE_CAN_SMILES>
CCC1=CC=C(C=C1)S(=O)(=O)NN=CC2=CC=C(O2)[N+](=O)[O-]

> <PUBCHEM_OPENEYE_ISO_SMILES>
CCC1=CC=C(C=C1)S(=O)(=O)N/N=C\C2=CC=C(O2)[N+](=O)[O-]

> <PUBCHEM_CACTVS_TPSA>
126

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
323.05759170

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
22

> <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  13  8
10  14  8
11  15  8
11  16  8
13  15  8
14  16  8
18  20  8
20  22  8
21  22  8
4  18  8
4  21  8

$$$$