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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1SCC(=O)N2CCC(CC2)C(=O)O

Isomeric SMILES

CC1=CC=CC=C1SCC(=O)N2CCC(CC2)C(=O)O

InChI

InChI=1S/C15H19NO3S/c1-11-4-2-3-5-13(11)20-10-14(17)16-8-6-12(7-9-16)15(18)19/h2-5,12H,6-10H2,1H3,(H,18,19)