butyl (E)-2-cyano-3-[3-methoxy-4-(4-methylphenyl)sulfonyloxy-phenyl]prop-2-enoate

Systemtic Name: butyl (E)-2-cyano-3-[3-methoxy-4-(4-methylphenyl)sulfonyloxy-phenyl]prop-2-enoate Openeye Name: butyl (E)-2-cyano-3-[3-methoxy-4-(p-tolylsulfonyloxy)phenyl]prop-2-enoate CAS Name: (E)-2-cyano-3-[3-methoxy-4-(4-methylphenyl)sulfonyloxyphenyl]-2-propenoic acid butyl ester IUPAC Name: butyl (E)-2-cyano-3-[3-methoxy-4-(4-methylphenyl)sulfonyloxyphenyl]prop-2-enoate Traditional Name: (E)-2-cyano-3-(3-methoxy-4-tosyloxy-phenyl)acrylic acid butyl ester Formula: C22H23NO6S MolecularWeight: 429.48612

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C(=CC1=CC(=C(C=C1)OS(=O)(=O)C2=CC=C(C=C2)C)OC)C#N

Isomeric SMILES

CCCCOC(=O)/C(=C/C1=CC(=C(C=C1)OS(=O)(=O)C2=CC=C(C=C2)C)OC)/C#N

InChI

InChI=1S/C22H23NO6S/c1-4-5-12-28-22(24)18(15-23)13-17-8-11-20(21(14-17)27-3)29-30(25,26)19-9-6-16(2)7-10-19/h6-11,13-14H,4-5,12H2,1-3H3/b18-13+