1-[2-(cyanomethylsulfanyl)phenyl]carbonylpiperidine-4-carboxylic acid

Systemtic Name: 1-[2-(cyanomethylsulfanyl)phenyl]carbonylpiperidine-4-carboxylic acid Openeye Name: 1-[2-(cyanomethylsulfanyl)benzoyl]piperidine-4-carboxylic acid CAS Name: 1-[[2-(cyanomethylthio)phenyl]-oxomethyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[2-(cyanomethylsulfanyl)benzoyl]piperidine-4-carboxylic acid Traditional Name: 1-[2-(cyanomethylthio)benzoyl]isonipecotic acid Formula: C15H16N2O3S MolecularWeight: 304.36414

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)O)C(=O)C2=CC=CC=C2SCC#N

Isomeric SMILES

C1CN(CCC1C(=O)O)C(=O)C2=CC=CC=C2SCC#N

InChI

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