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

Systemtic Name: N-[3,4-bis(fluoranyl)phenyl]-1-[(3-bromophenyl)methylsulfonyl]piperidine-4-carboxamide Openeye Name: 1-[(3-bromophenyl)methylsulfonyl]-N-(3,4-difluorophenyl)piperidine-4-carboxamide CAS Name: 1-[(3-bromophenyl)methylsulfonyl]-N-(3,4-difluorophenyl)-4-piperidinecarboxamide IUPAC Name: 1-[(3-bromophenyl)methylsulfonyl]-N-(3,4-difluorophenyl)piperidine-4-carboxamide Traditional Name: 1-(3-bromobenzyl)sulfonyl-N-(3,4-difluorophenyl)isonipecotamide Formula: C19H19BrF2N2O3S MolecularWeight: 473.331566

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NC2=CC(=C(C=C2)F)F)S(=O)(=O)CC3=CC(=CC=C3)Br

Isomeric SMILES

C1CN(CCC1C(=O)NC2=CC(=C(C=C2)F)F)S(=O)(=O)CC3=CC(=CC=C3)Br

InChI

InChI=1S/C19H19BrF2N2O3S/c20-15-3-1-2-13(10-15)12-28(26,27)24-8-6-14(7-9-24)19(25)23-16-4-5-17(21)18(22)11-16/h1-5,10-11,14H,6-9,12H2,(H,23,25)