ethyl (3S,4R)-4-cyano-3-phenyl-4-(phenylsulfonyl)butanoate

Systemtic Name: ethyl (3S,4R)-4-cyano-3-phenyl-4-(phenylsulfonyl)butanoate Openeye Name: ethyl (3S,4R)-4-(benzenesulfonyl)-4-cyano-3-phenyl-butanoate CAS Name: (3S,4R)-4-(benzenesulfonyl)-4-cyano-3-phenylbutanoic acid ethyl ester IUPAC Name: ethyl (3S,4R)-4-(benzenesulfonyl)-4-cyano-3-phenylbutanoate Traditional Name: (3S,4R)-4-besyl-4-cyano-3-phenyl-butyric acid ethyl ester Formula: C19H19NO4S MolecularWeight: 357.42346

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(C1=CC=CC=C1)C(C#N)S(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

CCOC(=O)C[C@@H](C1=CC=CC=C1)[C@H](C#N)S(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C19H19NO4S/c1-2-24-19(21)13-17(15-9-5-3-6-10-15)18(14-20)25(22,23)16-11-7-4-8-12-16/h3-12,17-18H,2,13H2,1H3/t17-,18-/m0/s1