(3S)-3-methyl-4-(phenylsulfonyl)butanoic acid

Systemtic Name: (3S)-3-methyl-4-(phenylsulfonyl)butanoic acid Openeye Name: (3S)-4-(benzenesulfonyl)-3-methyl-butanoic acid CAS Name: (3S)-4-(benzenesulfonyl)-3-methylbutanoic acid IUPAC Name: (3S)-4-(benzenesulfonyl)-3-methylbutanoic acid Traditional Name: (3S)-4-besyl-3-methyl-butyric acid Formula: C11H14O4S MolecularWeight: 242.29146

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H14O4S/c1-9(7-11(12)13)8-16(14,15)10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3,(H,12,13)/t9-/m0/s1