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

Systemtic Name: [2-[(4-methyl-3-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 3-[(4-fluorophenyl)sulfamoyl]benzoate Openeye Name: [2-(4-methyl-3-nitro-anilino)-2-oxo-ethyl] 3-[(4-fluorophenyl)sulfamoyl]benzoate CAS Name: 3-[(4-fluorophenyl)sulfamoyl]benzoic acid [2-(4-methyl-3-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-methyl-3-nitroanilino)-2-oxoethyl] 3-[(4-fluorophenyl)sulfamoyl]benzoate Traditional Name: 3-[(4-fluorophenyl)sulfamoyl]benzoic acid [2-keto-2-(4-methyl-3-nitro-anilino)ethyl] ester Formula: C22H18FN3O7S MolecularWeight: 487.457623

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)COC(=O)C2=CC(=CC=C2)S(=O)(=O)NC3=CC=C(C=C3)F)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)COC(=O)C2=CC(=CC=C2)S(=O)(=O)NC3=CC=C(C=C3)F)[N+](=O)[O-]

InChI

InChI=1S/C22H18FN3O7S/c1-14-5-8-18(12-20(14)26(29)30)24-21(27)13-33-22(28)15-3-2-4-19(11-15)34(31,32)25-17-9-6-16(23)7-10-17/h2-12,25H,13H2,1H3,(H,24,27)