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

Systemtic Name: (phenylmethyl) 4-(5-bromanyl-2-fluoranyl-4-methylsulfanyl-phenyl)piperidine-1-carboxylate Openeye Name: benzyl 4-(5-bromo-2-fluoro-4-methylsulfanyl-phenyl)piperidine-1-carboxylate CAS Name: 4-[5-bromo-2-fluoro-4-(methylthio)phenyl]-1-piperidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-(5-bromo-2-fluoro-4-methylsulfanylphenyl)piperidine-1-carboxylate Traditional Name: 4-[5-bromo-2-fluoro-4-(methylthio)phenyl]piperidine-1-carboxylic acid benzyl ester Formula: C20H21BrFNO2S MolecularWeight: 438.353643

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21BrFNO2S/c1-26-19-12-18(22)16(11-17(19)21)15-7-9-23(10-8-15)20(24)25-13-14-5-3-2-4-6-14/h2-6,11-12,15H,7-10,13H2,1H3