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

Systemtic Name: [2-(3,4-dimethylphenyl)-2-oxidanylidene-ethyl] (2S)-3-methyl-2-[(4-methylphenyl)sulfonylamino]butanoate Openeye Name: [2-(3,4-dimethylphenyl)-2-oxo-ethyl] (2S)-3-methyl-2-(p-tolylsulfonylamino)butanoate CAS Name: (2S)-3-methyl-2-[(4-methylphenyl)sulfonylamino]butanoic acid [2-(3,4-dimethylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(3,4-dimethylphenyl)-2-oxoethyl] (2S)-3-methyl-2-[(4-methylphenyl)sulfonylamino]butanoate Traditional Name: (2S)-3-methyl-2-(tosylamino)butyric acid [2-(3,4-dimethylphenyl)-2-keto-ethyl] ester Formula: C22H27NO5S MolecularWeight: 417.51848

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N[C@@H](C(C)C)C(=O)OCC(=O)C2=CC(=C(C=C2)C)C

InChI

InChI=1S/C22H27NO5S/c1-14(2)21(23-29(26,27)19-10-6-15(3)7-11-19)22(25)28-13-20(24)18-9-8-16(4)17(5)12-18/h6-12,14,21,23H,13H2,1-5H3/t21-/m0/s1