(phenylmethyl) 4-(5-bromanyl-2-methylsulfanyl-phenyl)piperidine-1-carboxylate

Systemtic Name: (phenylmethyl) 4-(5-bromanyl-2-methylsulfanyl-phenyl)piperidine-1-carboxylate Openeye Name: benzyl 4-(5-bromo-2-methylsulfanyl-phenyl)piperidine-1-carboxylate CAS Name: 4-[5-bromo-2-(methylthio)phenyl]-1-piperidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-(5-bromo-2-methylsulfanylphenyl)piperidine-1-carboxylate Traditional Name: 4-[5-bromo-2-(methylthio)phenyl]piperidine-1-carboxylic acid benzyl ester Formula: C20H22BrNO2S MolecularWeight: 420.36318

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=C(C=C1)Br)C2CCN(CC2)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

CSC1=C(C=C(C=C1)Br)C2CCN(CC2)C(=O)OCC3=CC=CC=C3

InChI

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