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

Systemtic Name: 1-[(2-bromophenyl)-(4-methylsulfanylphenyl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(2-bromophenyl)-(4-methylsulfanylphenyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(2-bromophenyl)-[4-(methylthio)phenyl]methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(2-bromophenyl)-(4-methylsulfanylphenyl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-[(2-bromophenyl)-[4-(methylthio)phenyl]methyl]nipecotic 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)N3CCCC(C3)C(=O)O

Isomeric SMILES

CSC1=CC=C(C=C1)C(C2=CC=CC=C2Br)N3CCCC(C3)C(=O)O

InChI

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