(2S,3S)-3-phenyl-2-[(phenylmethyl)sulfonylmethyl]butanoic acid

Systemtic Name: (2S,3S)-3-phenyl-2-[(phenylmethyl)sulfonylmethyl]butanoic acid Openeye Name: (2S,3S)-2-(benzylsulfonylmethyl)-3-phenyl-butanoic acid CAS Name: (2S,3S)-3-phenyl-2-[(phenylmethyl)sulfonylmethyl]butanoic acid IUPAC Name: (2S,3S)-2-(benzylsulfonylmethyl)-3-phenylbutanoic acid Traditional Name: (2S,3S)-2-(benzylsulfonylmethyl)-3-phenyl-butyric acid Formula: C18H20O4S MolecularWeight: 332.414

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)C(CS(=O)(=O)CC2=CC=CC=C2)C(=O)O

Isomeric SMILES

C[C@H](C1=CC=CC=C1)[C@H](CS(=O)(=O)CC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C18H20O4S/c1-14(16-10-6-3-7-11-16)17(18(19)20)13-23(21,22)12-15-8-4-2-5-9-15/h2-11,14,17H,12-13H2,1H3,(H,19,20)/t14-,17+/m1/s1