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

Systemtic Name: (phenylmethyl) 4-(5-bromanyl-2-fluoranyl-4-methylsulfanyl-phenyl)-4-oxidanyl-piperidine-1-carboxylate Openeye Name: benzyl 4-(5-bromo-2-fluoro-4-methylsulfanyl-phenyl)-4-hydroxy-piperidine-1-carboxylate CAS Name: 4-[5-bromo-2-fluoro-4-(methylthio)phenyl]-4-hydroxy-1-piperidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-(5-bromo-2-fluoro-4-methylsulfanylphenyl)-4-hydroxypiperidine-1-carboxylate Traditional Name: 4-[5-bromo-2-fluoro-4-(methylthio)phenyl]-4-hydroxy-piperidine-1-carboxylic acid benzyl ester Formula: C20H21BrFNO3S MolecularWeight: 454.353043

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=C(C(=C1)F)C2(CCN(CC2)C(=O)OCC3=CC=CC=C3)O)Br

Isomeric SMILES

CSC1=C(C=C(C(=C1)F)C2(CCN(CC2)C(=O)OCC3=CC=CC=C3)O)Br

InChI

InChI=1S/C20H21BrFNO3S/c1-27-18-12-17(22)15(11-16(18)21)20(25)7-9-23(10-8-20)19(24)26-13-14-5-3-2-4-6-14/h2-6,11-12,25H,7-10,13H2,1H3