1-[(3,4-dichlorophenyl)-(4-methylsulfanylphenyl)methyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[(3,4-dichlorophenyl)-(4-methylsulfanylphenyl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(3,4-dichlorophenyl)-(4-methylsulfanylphenyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(3,4-dichlorophenyl)-[4-(methylthio)phenyl]methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(3,4-dichlorophenyl)-(4-methylsulfanylphenyl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[(3,4-dichlorophenyl)-[4-(methylthio)phenyl]methyl]isonipecotic acid Formula: C20H21Cl2NO2S MolecularWeight: 410.35724

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C(C2=CC(=C(C=C2)Cl)Cl)N3CCC(CC3)C(=O)O

Isomeric SMILES

CSC1=CC=C(C=C1)C(C2=CC(=C(C=C2)Cl)Cl)N3CCC(CC3)C(=O)O

InChI

InChI=1S/C20H21Cl2NO2S/c1-26-16-5-2-13(3-6-16)19(15-4-7-17(21)18(22)12-15)23-10-8-14(9-11-23)20(24)25/h2-7,12,14,19H,8-11H2,1H3,(H,24,25)