[(2S)-1-[(4-methylphenyl)amino]-1-oxidanylidene-propan-2-yl] (2S)-3-methyl-2-(phenylsulfonylamino)butanoate

Systemtic Name: [(2S)-1-[(4-methylphenyl)amino]-1-oxidanylidene-propan-2-yl] (2S)-3-methyl-2-(phenylsulfonylamino)butanoate Openeye Name: [(1S)-1-methyl-2-(4-methylanilino)-2-oxo-ethyl] (2S)-2-(benzenesulfonamido)-3-methyl-butanoate CAS Name: (2S)-2-(benzenesulfonamido)-3-methylbutanoic acid [(2S)-1-(4-methylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(4-methylanilino)-1-oxopropan-2-yl] (2S)-2-(benzenesulfonamido)-3-methylbutanoate Traditional Name: (2S)-2-(benzenesulfonamido)-3-methyl-butyric 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)C(C(C)C)NS(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O5S/c1-14(2)19(23-29(26,27)18-8-6-5-7-9-18)21(25)28-16(4)20(24)22-17-12-10-15(3)11-13-17/h5-14,16,19,23H,1-4H3,(H,22,24)/t16-,19-/m0/s1