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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)C(=O)O)C(=O)C2=CC=CC=C2SCC#N

Isomeric SMILES

C1CCN(C(C1)C(=O)O)C(=O)C2=CC=CC=C2SCC#N

InChI

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