[(2S)-1-[(4-methylphenyl)amino]-1-oxidanylidene-propan-2-yl] 3-(tert-butylsulfamoyl)benzoate

Systemtic Name: [(2S)-1-[(4-methylphenyl)amino]-1-oxidanylidene-propan-2-yl] 3-(tert-butylsulfamoyl)benzoate Openeye Name: [(1S)-1-methyl-2-(4-methylanilino)-2-oxo-ethyl] 3-(tert-butylsulfamoyl)benzoate CAS Name: 3-(tert-butylsulfamoyl)benzoic acid [(2S)-1-(4-methylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(4-methylanilino)-1-oxopropan-2-yl] 3-(tert-butylsulfamoyl)benzoate Traditional Name: 3-(tert-butylsulfamoyl)benzoic acid [(1S)-2-keto-1-methyl-2-(p-toluidino)ethyl] ester Formula: C21H26N2O5S MolecularWeight: 418.50654

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O5S/c1-14-9-11-17(12-10-14)22-19(24)15(2)28-20(25)16-7-6-8-18(13-16)29(26,27)23-21(3,4)5/h6-13,15,23H,1-5H3,(H,22,24)/t15-/m0/s1