2-[4-(4-bromophenyl)sulfonylpiperazin-1-ium-1-yl]-N-[2-(trifluoromethyl)phenyl]ethanamide

Systemtic Name: 2-[4-(4-bromophenyl)sulfonylpiperazin-1-ium-1-yl]-N-[2-(trifluoromethyl)phenyl]ethanamide Openeye Name: 2-[4-(4-bromophenyl)sulfonylpiperazin-1-ium-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide CAS Name: 2-[4-(4-bromophenyl)sulfonyl-1-piperazin-1-iumyl]-N-[2-(trifluoromethyl)phenyl]acetamide IUPAC Name: 2-[4-(4-bromophenyl)sulfonylpiperazin-1-ium-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide Traditional Name: 2-(4-brosylpiperazin-1-ium-1-yl)-N-[2-(trifluoromethyl)phenyl]acetamide Formula: C19H20BrF3N3O3S+ MolecularWeight: 507.34461

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC2=CC=CC=C2C(F)(F)F)S(=O)(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC2=CC=CC=C2C(F)(F)F)S(=O)(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C19H19BrF3N3O3S/c20-14-5-7-15(8-6-14)30(28,29)26-11-9-25(10-12-26)13-18(27)24-17-4-2-1-3-16(17)19(21,22)23/h1-8H,9-13H2,(H,24,27)/p+1