methyl (3S)-3-methyl-4-(phenylsulfonyl)butanoate

Systemtic Name: methyl (3S)-3-methyl-4-(phenylsulfonyl)butanoate Openeye Name: methyl (3S)-4-(benzenesulfonyl)-3-methyl-butanoate CAS Name: (3S)-4-(benzenesulfonyl)-3-methylbutanoic acid methyl ester IUPAC Name: methyl (3S)-4-(benzenesulfonyl)-3-methylbutanoate Traditional Name: (3S)-4-besyl-3-methyl-butyric acid methyl ester Formula: C12H16O4S MolecularWeight: 256.31804

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)OC)CS(=O)(=O)C1=CC=CC=C1

Isomeric SMILES

C[C@@H](CC(=O)OC)CS(=O)(=O)C1=CC=CC=C1

InChI

InChI=1S/C12H16O4S/c1-10(8-12(13)16-2)9-17(14,15)11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3/t10-/m0/s1