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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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