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

Systemtic Name: [1-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)amino]-1-oxidanylidene-propan-2-yl] 3-[(4-nitrophenyl)sulfamoyl]benzoate Openeye Name: [2-[(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)amino]-1-methyl-2-oxo-ethyl] 3-[(4-nitrophenyl)sulfamoyl]benzoate CAS Name: 3-[(4-nitrophenyl)sulfamoyl]benzoic acid [1-[(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-1-oxopropan-2-yl] 3-[(4-nitrophenyl)sulfamoyl]benzoate Traditional Name: 3-[(4-nitrophenyl)sulfamoyl]benzoic acid [2-keto-2-[(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)amino]-1-methyl-ethyl] ester Formula: C27H25N5O8S MolecularWeight: 579.5811

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C(C)OC(=O)C3=CC(=CC=C3)S(=O)(=O)NC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C(C)OC(=O)C3=CC(=CC=C3)S(=O)(=O)NC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C27H25N5O8S/c1-17-24(26(34)31(30(17)3)21-9-5-4-6-10-21)28-25(33)18(2)40-27(35)19-8-7-11-23(16-19)41(38,39)29-20-12-14-22(15-13-20)32(36)37/h4-16,18,29H,1-3H3,(H,28,33)