(4-bromanyl-2-fluoranyl-phenyl)methyl 1-(4-fluorophenyl)sulfonylpiperidine-4-carboxylate

Systemtic Name: (4-bromanyl-2-fluoranyl-phenyl)methyl 1-(4-fluorophenyl)sulfonylpiperidine-4-carboxylate Openeye Name: (4-bromo-2-fluoro-phenyl)methyl 1-(4-fluorophenyl)sulfonylpiperidine-4-carboxylate CAS Name: 1-(4-fluorophenyl)sulfonyl-4-piperidinecarboxylic acid (4-bromo-2-fluorophenyl)methyl ester IUPAC Name: (4-bromo-2-fluorophenyl)methyl 1-(4-fluorophenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-(4-fluorophenyl)sulfonylisonipecotic acid (4-bromo-2-fluoro-benzyl) ester Formula: C19H18BrF2NO4S MolecularWeight: 474.316326

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)OCC2=C(C=C(C=C2)Br)F)S(=O)(=O)C3=CC=C(C=C3)F

Isomeric SMILES

C1CN(CCC1C(=O)OCC2=C(C=C(C=C2)Br)F)S(=O)(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C19H18BrF2NO4S/c20-15-2-1-14(18(22)11-15)12-27-19(24)13-7-9-23(10-8-13)28(25,26)17-5-3-16(21)4-6-17/h1-6,11,13H,7-10,12H2