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

Systemtic Name: [2-(3,4-dimethylphenyl)-2-oxidanylidene-ethyl] (2S)-2-[(4-methoxyphenyl)sulfonylamino]-3-methyl-butanoate Openeye Name: [2-(3,4-dimethylphenyl)-2-oxo-ethyl] (2S)-2-[(4-methoxyphenyl)sulfonylamino]-3-methyl-butanoate CAS Name: (2S)-2-[(4-methoxyphenyl)sulfonylamino]-3-methylbutanoic acid [2-(3,4-dimethylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(3,4-dimethylphenyl)-2-oxoethyl] (2S)-2-[(4-methoxyphenyl)sulfonylamino]-3-methylbutanoate Traditional Name: (2S)-2-[(4-methoxyphenyl)sulfonylamino]-3-methyl-butyric acid [2-(3,4-dimethylphenyl)-2-keto-ethyl] ester Formula: C22H27NO6S MolecularWeight: 433.51788

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27NO6S/c1-14(2)21(23-30(26,27)19-10-8-18(28-5)9-11-19)22(25)29-13-20(24)17-7-6-15(3)16(4)12-17/h6-12,14,21,23H,13H2,1-5H3/t21-/m0/s1