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

Systemtic Name: phenyl (E)-3-(4-methoxy-3-piperidin-1-ylsulfonyl-phenyl)prop-2-enoate Openeye Name: phenyl (E)-3-[4-methoxy-3-(1-piperidylsulfonyl)phenyl]prop-2-enoate CAS Name: (E)-3-[4-methoxy-3-(1-piperidinylsulfonyl)phenyl]-2-propenoic acid phenyl ester IUPAC Name: phenyl (E)-3-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)prop-2-enoate Traditional Name: (E)-3-(4-methoxy-3-piperidinosulfonyl-phenyl)acrylic acid phenyl ester Formula: C21H23NO5S MolecularWeight: 401.47602

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=CC(=O)OC2=CC=CC=C2)S(=O)(=O)N3CCCCC3

Isomeric SMILES

COC1=C(C=C(C=C1)/C=C/C(=O)OC2=CC=CC=C2)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C21H23NO5S/c1-26-19-12-10-17(11-13-21(23)27-18-8-4-2-5-9-18)16-20(19)28(24,25)22-14-6-3-7-15-22/h2,4-5,8-13,16H,3,6-7,14-15H2,1H3/b13-11+