5828196
  -OEChem-05102420562D

 33 35  0     0  0  0  0  0  0999 V2000
    4.1756    4.0835    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.4727   -3.3858    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.3666   -0.5043    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1756    4.0835    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1756    4.0835    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -4.1485    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4432   -4.8803    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1756    5.0835    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6636   -4.7871    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1756    1.0835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1756    0.0835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1756    3.0835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3096    1.5835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0416    1.5835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3096    2.5835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0416    2.5835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6756   -1.4553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9846   -0.5043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6756   -1.4553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0878   -2.2644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4945   -3.1779    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9945   -4.0439    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5772   -4.3803    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7726    1.2735    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5785    1.2735    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7726    2.8935    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5785    2.8935    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5742   -0.3127    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0400   -1.9569    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4712   -2.1995    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7125    5.3935    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6386    5.3935    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5348   -5.3935    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  2  0  0  0  0
  1  5  2  0  0  0  0
  1  8  1  0  0  0  0
  1 12  1  0  0  0  0
  2 21  1  0  0  0  0
  2 23  1  0  0  0  0
  3 11  1  0  0  0  0
  3 17  1  0  0  0  0
  6 22  2  0  0  0  0
  7 23  2  0  0  0  0
  8 31  1  0  0  0  0
  8 32  1  0  0  0  0
  9 22  1  0  0  0  0
  9 23  1  0  0  0  0
  9 33  1  0  0  0  0
 10 11  1  0  0  0  0
 10 13  2  0  0  0  0
 10 14  1  0  0  0  0
 11 18  2  0  0  0  0
 12 15  2  0  0  0  0
 12 16  1  0  0  0  0
 13 15  1  0  0  0  0
 13 24  1  0  0  0  0
 14 16  2  0  0  0  0
 14 25  1  0  0  0  0
 15 26  1  0  0  0  0
 16 27  1  0  0  0  0
 17 19  2  0  0  0  0
 17 20  1  0  0  0  0
 18 19  1  0  0  0  0
 18 28  1  0  0  0  0
 19 29  1  0  0  0  0
 20 21  2  0  0  0  0
 20 30  1  0  0  0  0
 21 22  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
5828196

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
632

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
7

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
3

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBzOABgAAAAAAAAAAAAAAAAAWJAAAAwAAAAAAAAAAABwAAAHgQQQAAADASB2AAwBYLABEqIAqFSEHDCCBBkIBAIiBkGCMgMJjKENRqCOSCkxDEIqYeIyPCOEAAAAAAAAAAgAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
4-[5-[(Z)-(2,4-dioxothiazolidin-5-ylidene)methyl]-2-furyl]benzenesulfonamide

> <PUBCHEM_IUPAC_CAS_NAME>
4-[5-[(Z)-(2,4-dioxo-5-thiazolidinylidene)methyl]-2-furanyl]benzenesulfonamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
4-[5-[(<I>Z</I>)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl]benzenesulfonamide

> <PUBCHEM_IUPAC_NAME>
4-[5-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl]benzenesulfonamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
4-[5-[(Z)-[2,4-bis(oxidanylidene)-1,3-thiazolidin-5-ylidene]methyl]furan-2-yl]benzenesulfonamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
4-[5-[(Z)-(2,4-diketothiazolidin-5-ylidene)methyl]-2-furyl]benzenesulfonamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C14H10N2O5S2/c15-23(19,20)10-4-1-8(2-5-10)11-6-3-9(21-11)7-12-13(17)16-14(18)22-12/h1-7H,(H2,15,19,20)(H,16,17,18)/b12-7-

> <PUBCHEM_IUPAC_INCHIKEY>
JNPRTUHVCHGFHJ-GHXNOFRVSA-N

> <PUBCHEM_XLOGP3_AA>
1.5

> <PUBCHEM_EXACT_MASS>
350.00311377

> <PUBCHEM_MOLECULAR_FORMULA>
C14H10N2O5S2

> <PUBCHEM_MOLECULAR_WEIGHT>
350.4

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CC(=CC=C1C2=CC=C(O2)C=C3C(=O)NC(=O)S3)S(=O)(=O)N

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=CC(=CC=C1C2=CC=C(O2)/C=C\3/C(=O)NC(=O)S3)S(=O)(=O)N

> <PUBCHEM_CACTVS_TPSA>
153

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
350.00311377

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
23

> <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  18  8
12  15  8
12  16  8
13  15  8
14  16  8
17  19  8
18  19  8
3  11  8
3  17  8

$$$$