methyl (3S,4R)-4-cyano-2,2-dimethoxy-3-phenyl-4-(phenylsulfonyl)butanoate

Systemtic Name: methyl (3S,4R)-4-cyano-2,2-dimethoxy-3-phenyl-4-(phenylsulfonyl)butanoate Openeye Name: methyl (3S,4R)-4-(benzenesulfonyl)-4-cyano-2,2-dimethoxy-3-phenyl-butanoate CAS Name: (3S,4R)-4-(benzenesulfonyl)-4-cyano-2,2-dimethoxy-3-phenylbutanoic acid methyl ester IUPAC Name: methyl (3S,4R)-4-(benzenesulfonyl)-4-cyano-2,2-dimethoxy-3-phenylbutanoate Traditional Name: (3S,4R)-4-besyl-4-cyano-2,2-dimethoxy-3-phenyl-butyric acid methyl ester Formula: C20H21NO6S MolecularWeight: 403.44884

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21NO6S/c1-25-19(22)20(26-2,27-3)18(15-10-6-4-7-11-15)17(14-21)28(23,24)16-12-8-5-9-13-16/h4-13,17-18H,1-3H3/t17-,18+/m0/s1