[2-oxidanylidene-2-(2,4,5-trimethylphenyl)ethyl] 3-methyl-2-(phenylsulfonylamino)butanoate

Systemtic Name: [2-oxidanylidene-2-(2,4,5-trimethylphenyl)ethyl] 3-methyl-2-(phenylsulfonylamino)butanoate Openeye Name: [2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 2-(benzenesulfonamido)-3-methyl-butanoate CAS Name: 2-(benzenesulfonamido)-3-methylbutanoic acid [2-oxo-2-(2,4,5-trimethylphenyl)ethyl] ester IUPAC Name: [2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 2-(benzenesulfonamido)-3-methylbutanoate Traditional Name: 2-(benzenesulfonamido)-3-methyl-butyric acid [2-keto-2-(2,4,5-trimethylphenyl)ethyl] ester Formula: C22H27NO5S MolecularWeight: 417.51848

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C(=O)COC(=O)C(C(C)C)NS(=O)(=O)C2=CC=CC=C2)C)C

Isomeric SMILES

CC1=CC(=C(C=C1C(=O)COC(=O)C(C(C)C)NS(=O)(=O)C2=CC=CC=C2)C)C

InChI

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