[2-(4-methylphenyl)-2-oxidanylidene-ethyl] (2S)-3-methyl-2-[(4-methylphenyl)sulfonylamino]butanoate

Systemtic Name: [2-(4-methylphenyl)-2-oxidanylidene-ethyl] (2S)-3-methyl-2-[(4-methylphenyl)sulfonylamino]butanoate Openeye Name: [2-oxo-2-(p-tolyl)ethyl] (2S)-3-methyl-2-(p-tolylsulfonylamino)butanoate CAS Name: (2S)-3-methyl-2-[(4-methylphenyl)sulfonylamino]butanoic acid [2-(4-methylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-methylphenyl)-2-oxoethyl] (2S)-3-methyl-2-[(4-methylphenyl)sulfonylamino]butanoate Traditional Name: (2S)-3-methyl-2-(tosylamino)butyric acid [2-keto-2-(p-tolyl)ethyl] ester Formula: C21H25NO5S MolecularWeight: 403.4919

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25NO5S/c1-14(2)20(22-28(25,26)18-11-7-16(4)8-12-18)21(24)27-13-19(23)17-9-5-15(3)6-10-17/h5-12,14,20,22H,13H2,1-4H3/t20-/m0/s1