[1-[(3-methylphenyl)amino]-1-oxidanylidene-propan-2-yl] 2-[(4-fluorophenyl)sulfonylamino]benzoate

Systemtic Name: [1-[(3-methylphenyl)amino]-1-oxidanylidene-propan-2-yl] 2-[(4-fluorophenyl)sulfonylamino]benzoate Openeye Name: [1-methyl-2-(3-methylanilino)-2-oxo-ethyl] 2-[(4-fluorophenyl)sulfonylamino]benzoate CAS Name: 2-[(4-fluorophenyl)sulfonylamino]benzoic acid [1-(3-methylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(3-methylanilino)-1-oxopropan-2-yl] 2-[(4-fluorophenyl)sulfonylamino]benzoate Traditional Name: 2-[(4-fluorophenyl)sulfonylamino]benzoic acid [2-keto-1-methyl-2-(m-toluidino)ethyl] ester Formula: C23H21FN2O5S MolecularWeight: 456.486643

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)C(C)OC(=O)C2=CC=CC=C2NS(=O)(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)C(C)OC(=O)C2=CC=CC=C2NS(=O)(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C23H21FN2O5S/c1-15-6-5-7-18(14-15)25-22(27)16(2)31-23(28)20-8-3-4-9-21(20)26-32(29,30)19-12-10-17(24)11-13-19/h3-14,16,26H,1-2H3,(H,25,27)