1-(4-phenylsulfanylbutanoyl)piperidine-2-carboxylic acid

Systemtic Name: 1-(4-phenylsulfanylbutanoyl)piperidine-2-carboxylic acid Openeye Name: 1-(4-phenylsulfanylbutanoyl)piperidine-2-carboxylic acid CAS Name: 1-[1-oxo-4-(phenylthio)butyl]-2-piperidinecarboxylic acid IUPAC Name: 1-(4-phenylsulfanylbutanoyl)piperidine-2-carboxylic acid Traditional Name: 1-[4-(phenylthio)butanoyl]pipecolinic acid Formula: C16H21NO3S MolecularWeight: 307.40784

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)C(=O)O)C(=O)CCCSC2=CC=CC=C2

Isomeric SMILES

C1CCN(C(C1)C(=O)O)C(=O)CCCSC2=CC=CC=C2

InChI

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