[2-(4-nitrophenyl)-2-oxidanylidene-ethyl] 2-chloranyl-5-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)sulfamoyl]benzoate

Systemtic Name: [2-(4-nitrophenyl)-2-oxidanylidene-ethyl] 2-chloranyl-5-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)sulfamoyl]benzoate Openeye Name: [2-(4-nitrophenyl)-2-oxo-ethyl] 2-chloro-5-[(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)sulfamoyl]benzoate CAS Name: 2-chloro-5-[(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)sulfamoyl]benzoic acid [2-(4-nitrophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-nitrophenyl)-2-oxoethyl] 2-chloro-5-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)sulfamoyl]benzoate Traditional Name: 2-chloro-5-[(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)sulfamoyl]benzoic acid [2-keto-2-(4-nitrophenyl)ethyl] ester Formula: C26H21ClN4O8S MolecularWeight: 584.98494

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NS(=O)(=O)C3=CC(=C(C=C3)Cl)C(=O)OCC(=O)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NS(=O)(=O)C3=CC(=C(C=C3)Cl)C(=O)OCC(=O)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C26H21ClN4O8S/c1-16-24(25(33)30(29(16)2)18-6-4-3-5-7-18)28-40(37,38)20-12-13-22(27)21(14-20)26(34)39-15-23(32)17-8-10-19(11-9-17)31(35)36/h3-14,28H,15H2,1-2H3