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

Systemtic Name: 1-[(2,4-dichlorophenyl)-(4-methylsulfanylphenyl)methyl]piperidine-2-carboxylic acid Openeye Name: 1-[(2,4-dichlorophenyl)-(4-methylsulfanylphenyl)methyl]piperidine-2-carboxylic acid CAS Name: 1-[(2,4-dichlorophenyl)-[4-(methylthio)phenyl]methyl]-2-piperidinecarboxylic acid IUPAC Name: 1-[(2,4-dichlorophenyl)-(4-methylsulfanylphenyl)methyl]piperidine-2-carboxylic acid Traditional Name: 1-[(2,4-dichlorophenyl)-[4-(methylthio)phenyl]methyl]pipecolinic acid Formula: C20H21Cl2NO2S MolecularWeight: 410.35724

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21Cl2NO2S/c1-26-15-8-5-13(6-9-15)19(16-10-7-14(21)12-17(16)22)23-11-3-2-4-18(23)20(24)25/h5-10,12,18-19H,2-4,11H2,1H3,(H,24,25)