[2-[(3-methylphenyl)amino]-2-oxidanylidene-ethyl] (2S)-3-methyl-2-(phenylsulfonylamino)butanoate

Systemtic Name: [2-[(3-methylphenyl)amino]-2-oxidanylidene-ethyl] (2S)-3-methyl-2-(phenylsulfonylamino)butanoate Openeye Name: [2-(3-methylanilino)-2-oxo-ethyl] (2S)-2-(benzenesulfonamido)-3-methyl-butanoate CAS Name: (2S)-2-(benzenesulfonamido)-3-methylbutanoic acid [2-(3-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-methylanilino)-2-oxoethyl] (2S)-2-(benzenesulfonamido)-3-methylbutanoate Traditional Name: (2S)-2-(benzenesulfonamido)-3-methyl-butyric acid [2-keto-2-(m-toluidino)ethyl] ester Formula: C20H24N2O5S MolecularWeight: 404.47996

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)COC(=O)C(C(C)C)NS(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

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

InChI

InChI=1S/C20H24N2O5S/c1-14(2)19(22-28(25,26)17-10-5-4-6-11-17)20(24)27-13-18(23)21-16-9-7-8-15(3)12-16/h4-12,14,19,22H,13H2,1-3H3,(H,21,23)/t19-/m0/s1