2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)-N-[[2-(trifluoromethyloxy)phenyl]methyl]ethanamide

Systemtic Name: 2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)-N-[[2-(trifluoromethyloxy)phenyl]methyl]ethanamide Openeye Name: 2-[4-(2-thienylsulfonyl)piperazin-1-ium-1-yl]-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide CAS Name: 2-(4-thiophen-2-ylsulfonyl-1-piperazin-1-iumyl)-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide IUPAC Name: 2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide Traditional Name: 2-[4-(2-thienylsulfonyl)piperazin-1-ium-1-yl]-N-[2-(trifluoromethoxy)benzyl]acetamide Formula: C18H21F3N3O4S2+ MolecularWeight: 464.50225

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NCC2=CC=CC=C2OC(F)(F)F)S(=O)(=O)C3=CC=CS3

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NCC2=CC=CC=C2OC(F)(F)F)S(=O)(=O)C3=CC=CS3

InChI

InChI=1S/C18H20F3N3O4S2/c19-18(20,21)28-15-5-2-1-4-14(15)12-22-16(25)13-23-7-9-24(10-8-23)30(26,27)17-6-3-11-29-17/h1-6,11H,7-10,12-13H2,(H,22,25)/p+1