1-(4-phenylsulfanylbutanoyl)piperidine-4-carboxylic acid

Systemtic Name: 1-(4-phenylsulfanylbutanoyl)piperidine-4-carboxylic acid Openeye Name: 1-(4-phenylsulfanylbutanoyl)piperidine-4-carboxylic acid CAS Name: 1-[1-oxo-4-(phenylthio)butyl]-4-piperidinecarboxylic acid IUPAC Name: 1-(4-phenylsulfanylbutanoyl)piperidine-4-carboxylic acid Traditional Name: 1-[4-(phenylthio)butanoyl]isonipecotic acid Formula: C16H21NO3S MolecularWeight: 307.40784

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)O)C(=O)CCCSC2=CC=CC=C2

Isomeric SMILES

C1CN(CCC1C(=O)O)C(=O)CCCSC2=CC=CC=C2

InChI

InChI=1S/C16H21NO3S/c18-15(17-10-8-13(9-11-17)16(19)20)7-4-12-21-14-5-2-1-3-6-14/h1-3,5-6,13H,4,7-12H2,(H,19,20)