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

Systemtic Name: (E)-2-cyano-3-(3-ethoxy-4-oxidanyl-phenyl)-N-(3-piperidin-1-ylsulfonylphenyl)prop-2-enamide Openeye Name: (E)-2-cyano-3-(3-ethoxy-4-hydroxy-phenyl)-N-[3-(1-piperidylsulfonyl)phenyl]prop-2-enamide CAS Name: (E)-2-cyano-3-(3-ethoxy-4-hydroxyphenyl)-N-[3-(1-piperidinylsulfonyl)phenyl]-2-propenamide IUPAC Name: (E)-2-cyano-3-(3-ethoxy-4-hydroxyphenyl)-N-(3-piperidin-1-ylsulfonylphenyl)prop-2-enamide Traditional Name: (E)-2-cyano-3-(3-ethoxy-4-hydroxy-phenyl)-N-(3-piperidinosulfonylphenyl)acrylamide Formula: C23H25N3O5S MolecularWeight: 455.5267

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C=C(C#N)C(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCCCC3)O

Isomeric SMILES

CCOC1=C(C=CC(=C1)/C=C(\C#N)/C(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCCCC3)O

InChI

InChI=1S/C23H25N3O5S/c1-2-31-22-14-17(9-10-21(22)27)13-18(16-24)23(28)25-19-7-6-8-20(15-19)32(29,30)26-11-4-3-5-12-26/h6-10,13-15,27H,2-5,11-12H2,1H3,(H,25,28)/b18-13+