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

Systemtic Name: 2-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-[3-(trifluoromethyl)phenyl]ethanamide Openeye Name: 2-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide CAS Name: 2-[4-(4-tert-butylphenyl)sulfonyl-1-piperazin-1-iumyl]-N-[3-(trifluoromethyl)phenyl]acetamide IUPAC Name: 2-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide Traditional Name: 2-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide Formula: C23H29F3N3O3S+ MolecularWeight: 484.55487

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(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)(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/C23H28F3N3O3S/c1-22(2,3)17-7-9-20(10-8-17)33(31,32)29-13-11-28(12-14-29)16-21(30)27-19-6-4-5-18(15-19)23(24,25)26/h4-10,15H,11-14,16H2,1-3H3,(H,27,30)/p+1