N-methyl-4-[2-[4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-ium-1-yl]ethanoylamino]benzamide

Systemtic Name: N-methyl-4-[2-[4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-ium-1-yl]ethanoylamino]benzamide Openeye Name: N-methyl-4-[[2-[4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-ium-1-yl]acetyl]amino]benzamide CAS Name: N-methyl-4-[[1-oxo-2-[4-[2-(trifluoromethyl)phenyl]sulfonyl-1-piperazin-1-iumyl]ethyl]amino]benzamide IUPAC Name: N-methyl-4-[[2-[4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-ium-1-yl]acetyl]amino]benzamide Traditional Name: N-methyl-4-[[2-[4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-ium-1-yl]acetyl]amino]benzamide Formula: C21H24F3N4O4S+ MolecularWeight: 485.49987

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1=CC=C(C=C1)NC(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C(F)(F)F

Isomeric SMILES

CNC(=O)C1=CC=C(C=C1)NC(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C(F)(F)F

InChI

InChI=1S/C21H23F3N4O4S/c1-25-20(30)15-6-8-16(9-7-15)26-19(29)14-27-10-12-28(13-11-27)33(31,32)18-5-3-2-4-17(18)21(22,23)24/h2-9H,10-14H2,1H3,(H,25,30)(H,26,29)/p+1