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

Systemtic Name: 4-[2-(4-chlorophenyl)sulfanylphenyl]-1-methyl-piperidine-4-carboxylic acid Openeye Name: 4-[2-(4-chlorophenyl)sulfanylphenyl]-1-methyl-piperidine-4-carboxylic acid CAS Name: 4-[2-[(4-chlorophenyl)thio]phenyl]-1-methyl-4-piperidinecarboxylic acid IUPAC Name: 4-[2-(4-chlorophenyl)sulfanylphenyl]-1-methylpiperidine-4-carboxylic acid Traditional Name: 4-[2-[(4-chlorophenyl)thio]phenyl]-1-methyl-isonipecotic acid Formula: C19H20ClNO2S MolecularWeight: 361.8856

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(CC1)(C2=CC=CC=C2SC3=CC=C(C=C3)Cl)C(=O)O

Isomeric SMILES

CN1CCC(CC1)(C2=CC=CC=C2SC3=CC=C(C=C3)Cl)C(=O)O

InChI

InChI=1S/C19H20ClNO2S/c1-21-12-10-19(11-13-21,18(22)23)16-4-2-3-5-17(16)24-15-8-6-14(20)7-9-15/h2-9H,10-13H2,1H3,(H,22,23)