1-[3-(4-methylphenyl)sulfanylpropanoyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[3-(4-methylphenyl)sulfanylpropanoyl]piperidine-3-carboxylic acid Openeye Name: 1-[3-(p-tolylsulfanyl)propanoyl]piperidine-3-carboxylic acid CAS Name: 1-[3-[(4-methylphenyl)thio]-1-oxopropyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[3-(4-methylphenyl)sulfanylpropanoyl]piperidine-3-carboxylic acid Traditional Name: 1-[3-(p-tolylthio)propanoyl]nipecotic acid Formula: C16H21NO3S MolecularWeight: 307.40784

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCCC(=O)N2CCCC(C2)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)SCCC(=O)N2CCCC(C2)C(=O)O

InChI

InChI=1S/C16H21NO3S/c1-12-4-6-14(7-5-12)21-10-8-15(18)17-9-2-3-13(11-17)16(19)20/h4-7,13H,2-3,8-11H2,1H3,(H,19,20)