1-[(3-bromophenyl)-(4-methylsulfanylphenyl)methyl]piperidine-2-carboxylic acid

Systemtic Name: 1-[(3-bromophenyl)-(4-methylsulfanylphenyl)methyl]piperidine-2-carboxylic acid Openeye Name: 1-[(3-bromophenyl)-(4-methylsulfanylphenyl)methyl]piperidine-2-carboxylic acid CAS Name: 1-[(3-bromophenyl)-[4-(methylthio)phenyl]methyl]-2-piperidinecarboxylic acid IUPAC Name: 1-[(3-bromophenyl)-(4-methylsulfanylphenyl)methyl]piperidine-2-carboxylic acid Traditional Name: 1-[(3-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=C2)Br)N3CCCCC3C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C20H22BrNO2S/c1-25-17-10-8-14(9-11-17)19(15-5-4-6-16(21)13-15)22-12-3-2-7-18(22)20(23)24/h4-6,8-11,13,18-19H,2-3,7,12H2,1H3,(H,23,24)