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

Systemtic Name: 1-[(4-chlorophenyl)-(4-methylsulfanylphenyl)methyl]piperidine-2-carboxylic acid Openeye Name: 1-[(4-chlorophenyl)-(4-methylsulfanylphenyl)methyl]piperidine-2-carboxylic acid CAS Name: 1-[(4-chlorophenyl)-[4-(methylthio)phenyl]methyl]-2-piperidinecarboxylic acid IUPAC Name: 1-[(4-chlorophenyl)-(4-methylsulfanylphenyl)methyl]piperidine-2-carboxylic acid Traditional Name: 1-[(4-chlorophenyl)-[4-(methylthio)phenyl]methyl]pipecolinic acid Formula: C20H22ClNO2S MolecularWeight: 375.91218

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C(C2=CC=C(C=C2)Cl)N3CCCCC3C(=O)O

Isomeric SMILES

CSC1=CC=C(C=C1)C(C2=CC=C(C=C2)Cl)N3CCCCC3C(=O)O

InChI

InChI=1S/C20H22ClNO2S/c1-25-17-11-7-15(8-12-17)19(14-5-9-16(21)10-6-14)22-13-3-2-4-18(22)20(23)24/h5-12,18-19H,2-4,13H2,1H3,(H,23,24)