(E)-2-cyano-3-(3-methoxy-4-oxidanyl-phenyl)-N-(3-piperidin-1-ylsulfonylphenyl)prop-2-enamide

Systemtic Name: (E)-2-cyano-3-(3-methoxy-4-oxidanyl-phenyl)-N-(3-piperidin-1-ylsulfonylphenyl)prop-2-enamide Openeye Name: (E)-2-cyano-3-(4-hydroxy-3-methoxy-phenyl)-N-[3-(1-piperidylsulfonyl)phenyl]prop-2-enamide CAS Name: (E)-2-cyano-3-(4-hydroxy-3-methoxyphenyl)-N-[3-(1-piperidinylsulfonyl)phenyl]-2-propenamide IUPAC Name: (E)-2-cyano-3-(4-hydroxy-3-methoxyphenyl)-N-(3-piperidin-1-ylsulfonylphenyl)prop-2-enamide Traditional Name: (E)-2-cyano-3-(4-hydroxy-3-methoxy-phenyl)-N-(3-piperidinosulfonylphenyl)acrylamide Formula: C22H23N3O5S MolecularWeight: 441.50012

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=C(C#N)C(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCCCC3)O

Isomeric SMILES

COC1=C(C=CC(=C1)/C=C(\C#N)/C(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCCCC3)O

InChI

InChI=1S/C22H23N3O5S/c1-30-21-13-16(8-9-20(21)26)12-17(15-23)22(27)24-18-6-5-7-19(14-18)31(28,29)25-10-3-2-4-11-25/h5-9,12-14,26H,2-4,10-11H2,1H3,(H,24,27)/b17-12+