[2-[(2,5-dimethylphenyl)amino]-2-oxidanylidene-ethyl] (2S)-3-methyl-2-(phenylsulfonylamino)butanoate

Systemtic Name: [2-[(2,5-dimethylphenyl)amino]-2-oxidanylidene-ethyl] (2S)-3-methyl-2-(phenylsulfonylamino)butanoate Openeye Name: [2-(2,5-dimethylanilino)-2-oxo-ethyl] (2S)-2-(benzenesulfonamido)-3-methyl-butanoate CAS Name: (2S)-2-(benzenesulfonamido)-3-methylbutanoic acid [2-(2,5-dimethylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2,5-dimethylanilino)-2-oxoethyl] (2S)-2-(benzenesulfonamido)-3-methylbutanoate Traditional Name: (2S)-2-(benzenesulfonamido)-3-methyl-butyric acid [2-(2,5-dimethylanilino)-2-keto-ethyl] ester Formula: C21H26N2O5S MolecularWeight: 418.50654

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O5S/c1-14(2)20(23-29(26,27)17-8-6-5-7-9-17)21(25)28-13-19(24)22-18-12-15(3)10-11-16(18)4/h5-12,14,20,23H,13H2,1-4H3,(H,22,24)/t20-/m0/s1