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

Systemtic Name: 1-[(2-bromophenyl)-(4-methylsulfanylphenyl)methyl]piperidine-2-carboxylic acid Openeye Name: 1-[(2-bromophenyl)-(4-methylsulfanylphenyl)methyl]piperidine-2-carboxylic acid CAS Name: 1-[(2-bromophenyl)-[4-(methylthio)phenyl]methyl]-2-piperidinecarboxylic acid IUPAC Name: 1-[(2-bromophenyl)-(4-methylsulfanylphenyl)methyl]piperidine-2-carboxylic acid Traditional Name: 1-[(2-bromophenyl)-[4-(methylthio)phenyl]methyl]pipecolinic acid Formula: C20H22BrNO2S MolecularWeight: 420.36318

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C(C2=CC=CC=C2Br)N3CCCCC3C(=O)O

Isomeric SMILES

CSC1=CC=C(C=C1)C(C2=CC=CC=C2Br)N3CCCCC3C(=O)O

InChI

InChI=1S/C20H22BrNO2S/c1-25-15-11-9-14(10-12-15)19(16-6-2-3-7-17(16)21)22-13-5-4-8-18(22)20(23)24/h2-3,6-7,9-12,18-19H,4-5,8,13H2,1H3,(H,23,24)