2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-[3-(trifluoromethyl)phenyl]ethanamide

Systemtic Name: 2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-[3-(trifluoromethyl)phenyl]ethanamide Openeye Name: 2-[4-(4-isopropylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide CAS Name: 2-[4-(4-propan-2-ylphenyl)sulfonyl-1-piperazin-1-iumyl]-N-[3-(trifluoromethyl)phenyl]acetamide IUPAC Name: 2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide Traditional Name: 2-(4-p-cumenylsulfonylpiperazin-1-ium-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide Formula: C22H27F3N3O3S+ MolecularWeight: 470.52829

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC(=O)NC3=CC=CC(=C3)C(F)(F)F

Isomeric SMILES

CC(C)C1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC(=O)NC3=CC=CC(=C3)C(F)(F)F

InChI

InChI=1S/C22H26F3N3O3S/c1-16(2)17-6-8-20(9-7-17)32(30,31)28-12-10-27(11-13-28)15-21(29)26-19-5-3-4-18(14-19)22(23,24)25/h3-9,14,16H,10-13,15H2,1-2H3,(H,26,29)/p+1