N-[2-(cyanomethylsulfanyl)phenyl]-2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]ethanamide

Systemtic Name: N-[2-(cyanomethylsulfanyl)phenyl]-2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]ethanamide Openeye Name: N-[2-(cyanomethylsulfanyl)phenyl]-2-[(3R,5R)-3,5-dimethyl-1-piperidyl]acetamide CAS Name: N-[2-(cyanomethylthio)phenyl]-2-[(3R,5R)-3,5-dimethyl-1-piperidinyl]acetamide IUPAC Name: N-[2-(cyanomethylsulfanyl)phenyl]-2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]acetamide Traditional Name: N-[2-(cyanomethylthio)phenyl]-2-[(3R,5R)-3,5-dimethylpiperidino]acetamide Formula: C17H23N3OS MolecularWeight: 317.44902

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)CC(=O)NC2=CC=CC=C2SCC#N)C

Isomeric SMILES

C[C@@H]1C[C@H](CN(C1)CC(=O)NC2=CC=CC=C2SCC#N)C

InChI

InChI=1S/C17H23N3OS/c1-13-9-14(2)11-20(10-13)12-17(21)19-15-5-3-4-6-16(15)22-8-7-18/h3-6,13-14H,8-12H2,1-2H3,(H,19,21)/t13-,14-/m1/s1