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

Systemtic Name: 4-[2-(4-methylphenyl)sulfanylphenyl]piperidine-1-carboxylic acid Openeye Name: 4-[2-(p-tolylsulfanyl)phenyl]piperidine-1-carboxylic acid CAS Name: 4-[2-[(4-methylphenyl)thio]phenyl]-1-piperidinecarboxylic acid IUPAC Name: 4-[2-(4-methylphenyl)sulfanylphenyl]piperidine-1-carboxylic acid Traditional Name: 4-[2-(p-tolylthio)phenyl]piperidine-1-carboxylic acid Formula: C19H21NO2S MolecularWeight: 327.44054

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=CC=CC=C2C3CCN(CC3)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)SC2=CC=CC=C2C3CCN(CC3)C(=O)O

InChI

InChI=1S/C19H21NO2S/c1-14-6-8-16(9-7-14)23-18-5-3-2-4-17(18)15-10-12-20(13-11-15)19(21)22/h2-9,15H,10-13H2,1H3,(H,21,22)