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

Systemtic Name: N-(4-pyrrolidin-1-ylphenyl)-2-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: N-(4-pyrrolidin-1-ylphenyl)-2-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-ium-1-yl]acetamide CAS Name: N-[4-(1-pyrrolidinyl)phenyl]-2-[4-[3-(trifluoromethyl)phenyl]sulfonyl-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(4-pyrrolidin-1-ylphenyl)-2-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-ium-1-yl]acetamide Traditional Name: N-(4-pyrrolidinophenyl)-2-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-ium-1-yl]acetamide Formula: C23H28F3N4O3S+ MolecularWeight: 497.55363

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=CC=C(C=C2)NC(=O)C[NH+]3CCN(CC3)S(=O)(=O)C4=CC=CC(=C4)C(F)(F)F

Isomeric SMILES

C1CCN(C1)C2=CC=C(C=C2)NC(=O)C[NH+]3CCN(CC3)S(=O)(=O)C4=CC=CC(=C4)C(F)(F)F

InChI

InChI=1S/C23H27F3N4O3S/c24-23(25,26)18-4-3-5-21(16-18)34(32,33)30-14-12-28(13-15-30)17-22(31)27-19-6-8-20(9-7-19)29-10-1-2-11-29/h3-9,16H,1-2,10-15,17H2,(H,27,31)/p+1