[2-[(5-nitro-1,3-thiazol-2-yl)amino]-2-oxidanylidene-ethyl] 4-methyl-3-[(4-methylphenyl)sulfamoyl]benzoate

Systemtic Name: [2-[(5-nitro-1,3-thiazol-2-yl)amino]-2-oxidanylidene-ethyl] 4-methyl-3-[(4-methylphenyl)sulfamoyl]benzoate Openeye Name: [2-[(5-nitrothiazol-2-yl)amino]-2-oxo-ethyl] 4-methyl-3-(p-tolylsulfamoyl)benzoate CAS Name: 4-methyl-3-[(4-methylphenyl)sulfamoyl]benzoic acid [2-[(5-nitro-2-thiazolyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(5-nitro-1,3-thiazol-2-yl)amino]-2-oxoethyl] 4-methyl-3-[(4-methylphenyl)sulfamoyl]benzoate Traditional Name: 4-methyl-3-(p-tolylsulfamoyl)benzoic acid [2-keto-2-[(5-nitrothiazol-2-yl)amino]ethyl] ester Formula: C20H18N4O7S2 MolecularWeight: 490.50952

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NS(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC(=O)NC3=NC=C(S3)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC=C(C=C1)NS(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC(=O)NC3=NC=C(S3)[N+](=O)[O-])C

InChI

InChI=1S/C20H18N4O7S2/c1-12-3-7-15(8-4-12)23-33(29,30)16-9-14(6-5-13(16)2)19(26)31-11-17(25)22-20-21-10-18(32-20)24(27)28/h3-10,23H,11H2,1-2H3,(H,21,22,25)