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

Systemtic Name: ethyl (3S,4R)-4-cyano-3-(4-methoxyphenyl)-4-(phenylsulfonyl)butanoate Openeye Name: ethyl (3S,4R)-4-(benzenesulfonyl)-4-cyano-3-(4-methoxyphenyl)butanoate CAS Name: (3S,4R)-4-(benzenesulfonyl)-4-cyano-3-(4-methoxyphenyl)butanoic acid ethyl ester IUPAC Name: ethyl (3S,4R)-4-(benzenesulfonyl)-4-cyano-3-(4-methoxyphenyl)butanoate Traditional Name: (3S,4R)-4-besyl-4-cyano-3-(4-methoxyphenyl)butyric acid ethyl ester Formula: C20H21NO5S MolecularWeight: 387.44944

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21NO5S/c1-3-26-20(22)13-18(15-9-11-16(25-2)12-10-15)19(14-21)27(23,24)17-7-5-4-6-8-17/h4-12,18-19H,3,13H2,1-2H3/t18-,19-/m0/s1