1-[3,4-bis(fluoranyl)phenyl]sulfonyl-N-[(2-bromophenyl)methyl]-N-methyl-piperidine-4-carboxamide

Systemtic Name: 1-[3,4-bis(fluoranyl)phenyl]sulfonyl-N-[(2-bromophenyl)methyl]-N-methyl-piperidine-4-carboxamide Openeye Name: N-[(2-bromophenyl)methyl]-1-(3,4-difluorophenyl)sulfonyl-N-methyl-piperidine-4-carboxamide CAS Name: N-[(2-bromophenyl)methyl]-1-(3,4-difluorophenyl)sulfonyl-N-methyl-4-piperidinecarboxamide IUPAC Name: N-[(2-bromophenyl)methyl]-1-(3,4-difluorophenyl)sulfonyl-N-methylpiperidine-4-carboxamide Traditional Name: N-(2-bromobenzyl)-1-(3,4-difluorophenyl)sulfonyl-N-methyl-isonipecotamide Formula: C20H21BrF2N2O3S MolecularWeight: 487.358146

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC=C1Br)C(=O)C2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)F)F

Isomeric SMILES

CN(CC1=CC=CC=C1Br)C(=O)C2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)F)F

InChI

InChI=1S/C20H21BrF2N2O3S/c1-24(13-15-4-2-3-5-17(15)21)20(26)14-8-10-25(11-9-14)29(27,28)16-6-7-18(22)19(23)12-16/h2-7,12,14H,8-11,13H2,1H3