(4-bromanyl-2-fluoranyl-phenyl)methyl 1-(phenylsulfonyl)piperidine-4-carboxylate

Systemtic Name: (4-bromanyl-2-fluoranyl-phenyl)methyl 1-(phenylsulfonyl)piperidine-4-carboxylate Openeye Name: (4-bromo-2-fluoro-phenyl)methyl 1-(benzenesulfonyl)piperidine-4-carboxylate CAS Name: 1-(benzenesulfonyl)-4-piperidinecarboxylic acid (4-bromo-2-fluorophenyl)methyl ester IUPAC Name: (4-bromo-2-fluorophenyl)methyl 1-(benzenesulfonyl)piperidine-4-carboxylate Traditional Name: 1-besylisonipecotic acid (4-bromo-2-fluoro-benzyl) ester Formula: C19H19BrFNO4S MolecularWeight: 456.325863

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19BrFNO4S/c20-16-7-6-15(18(21)12-16)13-26-19(23)14-8-10-22(11-9-14)27(24,25)17-4-2-1-3-5-17/h1-7,12,14H,8-11,13H2