1-[2-(cyanomethylsulfanyl)phenyl]carbonylpiperidine-3-carboxylic acid

Systemtic Name: 1-[2-(cyanomethylsulfanyl)phenyl]carbonylpiperidine-3-carboxylic acid Openeye Name: 1-[2-(cyanomethylsulfanyl)benzoyl]piperidine-3-carboxylic acid CAS Name: 1-[[2-(cyanomethylthio)phenyl]-oxomethyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[2-(cyanomethylsulfanyl)benzoyl]piperidine-3-carboxylic acid Traditional Name: 1-[2-(cyanomethylthio)benzoyl]nipecotic acid Formula: C15H16N2O3S MolecularWeight: 304.36414

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)C2=CC=CC=C2SCC#N)C(=O)O

Isomeric SMILES

C1CC(CN(C1)C(=O)C2=CC=CC=C2SCC#N)C(=O)O

InChI

InChI=1S/C15H16N2O3S/c16-7-9-21-13-6-2-1-5-12(13)14(18)17-8-3-4-11(10-17)15(19)20/h1-2,5-6,11H,3-4,8-10H2,(H,19,20)