[(2S)-1-[(3-methylphenyl)amino]-1-oxidanylidene-propan-2-yl] 3-[(phenylmethyl)sulfamoyl]benzoate

Systemtic Name: [(2S)-1-[(3-methylphenyl)amino]-1-oxidanylidene-propan-2-yl] 3-[(phenylmethyl)sulfamoyl]benzoate Openeye Name: [(1S)-1-methyl-2-(3-methylanilino)-2-oxo-ethyl] 3-(benzylsulfamoyl)benzoate CAS Name: 3-[(phenylmethyl)sulfamoyl]benzoic acid [(2S)-1-(3-methylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(3-methylanilino)-1-oxopropan-2-yl] 3-(benzylsulfamoyl)benzoate Traditional Name: 3-(benzylsulfamoyl)benzoic acid [(1S)-2-keto-1-methyl-2-(m-toluidino)ethyl] ester Formula: C24H24N2O5S MolecularWeight: 452.52276

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)C(C)OC(=O)C2=CC(=CC=C2)S(=O)(=O)NCC3=CC=CC=C3

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)[C@H](C)OC(=O)C2=CC(=CC=C2)S(=O)(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C24H24N2O5S/c1-17-8-6-12-21(14-17)26-23(27)18(2)31-24(28)20-11-7-13-22(15-20)32(29,30)25-16-19-9-4-3-5-10-19/h3-15,18,25H,16H2,1-2H3,(H,26,27)/t18-/m0/s1