[2-[(4-methyl-2-nitro-phenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 3-[(4-fluorophenyl)sulfamoyl]benzoate

Systemtic Name: [2-[(4-methyl-2-nitro-phenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 3-[(4-fluorophenyl)sulfamoyl]benzoate Openeye Name: [2-(4-methyl-2-nitro-anilino)-2-oxo-1-phenyl-ethyl] 3-[(4-fluorophenyl)sulfamoyl]benzoate CAS Name: 3-[(4-fluorophenyl)sulfamoyl]benzoic acid [2-(4-methyl-2-nitroanilino)-2-oxo-1-phenylethyl] ester IUPAC Name: [2-(4-methyl-2-nitroanilino)-2-oxo-1-phenylethyl] 3-[(4-fluorophenyl)sulfamoyl]benzoate Traditional Name: 3-[(4-fluorophenyl)sulfamoyl]benzoic acid [2-keto-2-(4-methyl-2-nitro-anilino)-1-phenyl-ethyl] ester Formula: C28H22FN3O7S MolecularWeight: 563.553583

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)C(C2=CC=CC=C2)OC(=O)C3=CC(=CC=C3)S(=O)(=O)NC4=CC=C(C=C4)F)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)C(C2=CC=CC=C2)OC(=O)C3=CC(=CC=C3)S(=O)(=O)NC4=CC=C(C=C4)F)[N+](=O)[O-]

InChI

InChI=1S/C28H22FN3O7S/c1-18-10-15-24(25(16-18)32(35)36)30-27(33)26(19-6-3-2-4-7-19)39-28(34)20-8-5-9-23(17-20)40(37,38)31-22-13-11-21(29)12-14-22/h2-17,26,31H,1H3,(H,30,33)