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

Systemtic Name: 2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)-N-[4-(trifluoromethyloxy)phenyl]ethanamide Openeye Name: 2-[4-(2-thienylsulfonyl)piperazin-1-ium-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide CAS Name: 2-(4-thiophen-2-ylsulfonyl-1-piperazin-1-iumyl)-N-[4-(trifluoromethoxy)phenyl]acetamide IUPAC Name: 2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide Traditional Name: 2-[4-(2-thienylsulfonyl)piperazin-1-ium-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide Formula: C17H19F3N3O4S2+ MolecularWeight: 450.47567

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC2=CC=C(C=C2)OC(F)(F)F)S(=O)(=O)C3=CC=CS3

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC2=CC=C(C=C2)OC(F)(F)F)S(=O)(=O)C3=CC=CS3

InChI

InChI=1S/C17H18F3N3O4S2/c18-17(19,20)27-14-5-3-13(4-6-14)21-15(24)12-22-7-9-23(10-8-22)29(25,26)16-2-1-11-28-16/h1-6,11H,7-10,12H2,(H,21,24)/p+1