methyl (E,5S,6R)-6-cyano-5-phenyl-6-(phenylsulfonyl)hex-2-enoate

Systemtic Name: methyl (E,5S,6R)-6-cyano-5-phenyl-6-(phenylsulfonyl)hex-2-enoate Openeye Name: methyl (E,5S,6R)-6-(benzenesulfonyl)-6-cyano-5-phenyl-hex-2-enoate CAS Name: (E,5S,6R)-6-(benzenesulfonyl)-6-cyano-5-phenyl-2-hexenoic acid methyl ester IUPAC Name: methyl (E,5S,6R)-6-(benzenesulfonyl)-6-cyano-5-phenylhex-2-enoate Traditional Name: (E,5S,6R)-6-besyl-6-cyano-5-phenyl-hex-2-enoic acid methyl ester Formula: C20H19NO4S MolecularWeight: 369.43416

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19NO4S/c1-25-20(22)14-8-13-18(16-9-4-2-5-10-16)19(15-21)26(23,24)17-11-6-3-7-12-17/h2-12,14,18-19H,13H2,1H3/b14-8+/t18-,19-/m0/s1