2-[4-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)piperazin-1-ium-1-yl]-N-[2-(trifluoromethyl)phenyl]ethanamide

Systemtic Name: 2-[4-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)piperazin-1-ium-1-yl]-N-[2-(trifluoromethyl)phenyl]ethanamide Openeye Name: 2-[4-(5-pyrrolidin-1-ylsulfonyl-2-pyridyl)piperazin-1-ium-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide CAS Name: 2-[4-[5-(1-pyrrolidinylsulfonyl)-2-pyridinyl]-1-piperazin-1-iumyl]-N-[2-(trifluoromethyl)phenyl]acetamide IUPAC Name: 2-[4-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)piperazin-1-ium-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide Traditional Name: 2-[4-(5-pyrrolidinosulfonyl-2-pyridyl)piperazin-1-ium-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide Formula: C22H27F3N5O3S+ MolecularWeight: 498.54169

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CN=C(C=C2)N3CC[NH+](CC3)CC(=O)NC4=CC=CC=C4C(F)(F)F

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CN=C(C=C2)N3CC[NH+](CC3)CC(=O)NC4=CC=CC=C4C(F)(F)F

InChI

InChI=1S/C22H26F3N5O3S/c23-22(24,25)18-5-1-2-6-19(18)27-21(31)16-28-11-13-29(14-12-28)20-8-7-17(15-26-20)34(32,33)30-9-3-4-10-30/h1-2,5-8,15H,3-4,9-14,16H2,(H,27,31)/p+1