phenacyl (E)-3-(4-methoxy-3-piperidin-1-ylsulfonyl-phenyl)prop-2-enoate

Systemtic Name: phenacyl (E)-3-(4-methoxy-3-piperidin-1-ylsulfonyl-phenyl)prop-2-enoate Openeye Name: phenacyl (E)-3-[4-methoxy-3-(1-piperidylsulfonyl)phenyl]prop-2-enoate CAS Name: (E)-3-[4-methoxy-3-(1-piperidinylsulfonyl)phenyl]-2-propenoic acid phenacyl ester IUPAC Name: phenacyl (E)-3-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)prop-2-enoate Traditional Name: (E)-3-(4-methoxy-3-piperidinosulfonyl-phenyl)acrylic acid phenacyl ester Formula: C23H25NO6S MolecularWeight: 443.5127

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=CC(=O)OCC(=O)C2=CC=CC=C2)S(=O)(=O)N3CCCCC3

Isomeric SMILES

COC1=C(C=C(C=C1)/C=C/C(=O)OCC(=O)C2=CC=CC=C2)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C23H25NO6S/c1-29-21-12-10-18(16-22(21)31(27,28)24-14-6-3-7-15-24)11-13-23(26)30-17-20(25)19-8-4-2-5-9-19/h2,4-5,8-13,16H,3,6-7,14-15,17H2,1H3/b13-11+