1-[2-(4-methylphenyl)sulfanylethanoyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[2-(4-methylphenyl)sulfanylethanoyl]piperidine-3-carboxylic acid Openeye Name: 1-[2-(p-tolylsulfanyl)acetyl]piperidine-3-carboxylic acid CAS Name: 1-[2-[(4-methylphenyl)thio]-1-oxoethyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[2-(4-methylphenyl)sulfanylacetyl]piperidine-3-carboxylic acid Traditional Name: 1-[2-(p-tolylthio)acetyl]nipecotic acid Formula: C15H19NO3S MolecularWeight: 293.38126

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H19NO3S/c1-11-4-6-13(7-5-11)20-10-14(17)16-8-2-3-12(9-16)15(18)19/h4-7,12H,2-3,8-10H2,1H3,(H,18,19)