(4-bromophenyl)methyl 1-[3,4-bis(fluoranyl)phenyl]sulfonylpiperidine-4-carboxylate

Systemtic Name: (4-bromophenyl)methyl 1-[3,4-bis(fluoranyl)phenyl]sulfonylpiperidine-4-carboxylate Openeye Name: (4-bromophenyl)methyl 1-(3,4-difluorophenyl)sulfonylpiperidine-4-carboxylate CAS Name: 1-(3,4-difluorophenyl)sulfonyl-4-piperidinecarboxylic acid (4-bromophenyl)methyl ester IUPAC Name: (4-bromophenyl)methyl 1-(3,4-difluorophenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-(3,4-difluorophenyl)sulfonylisonipecotic acid (4-bromobenzyl) ester Formula: C19H18BrF2NO4S MolecularWeight: 474.316326

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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