2-(cyanomethylsulfanyl)-N-(4-ethoxy-3-piperidin-1-ylsulfonyl-phenyl)ethanamide

Systemtic Name: 2-(cyanomethylsulfanyl)-N-(4-ethoxy-3-piperidin-1-ylsulfonyl-phenyl)ethanamide Openeye Name: 2-(cyanomethylsulfanyl)-N-[4-ethoxy-3-(1-piperidylsulfonyl)phenyl]acetamide CAS Name: 2-(cyanomethylthio)-N-[4-ethoxy-3-(1-piperidinylsulfonyl)phenyl]acetamide IUPAC Name: 2-(cyanomethylsulfanyl)-N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)acetamide Traditional Name: 2-(cyanomethylthio)-N-(4-ethoxy-3-piperidinosulfonyl-phenyl)acetamide Formula: C17H23N3O4S2 MolecularWeight: 397.51222

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)NC(=O)CSCC#N)S(=O)(=O)N2CCCCC2

Isomeric SMILES

CCOC1=C(C=C(C=C1)NC(=O)CSCC#N)S(=O)(=O)N2CCCCC2

InChI

InChI=1S/C17H23N3O4S2/c1-2-24-15-7-6-14(19-17(21)13-25-11-8-18)12-16(15)26(22,23)20-9-4-3-5-10-20/h6-7,12H,2-5,9-11,13H2,1H3,(H,19,21)