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

Systemtic Name: N-(phenylcarbamoyl)-2-[4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: N-(phenylcarbamoyl)-2-[4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-ium-1-yl]acetamide CAS Name: N-[anilino(oxo)methyl]-2-[4-[2-(trifluoromethyl)phenyl]sulfonyl-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(phenylcarbamoyl)-2-[4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-ium-1-yl]acetamide Traditional Name: N-(phenylcarbamoyl)-2-[4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-ium-1-yl]acetamide Formula: C20H22F3N4O4S+ MolecularWeight: 471.47329

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC(=O)NC2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3C(F)(F)F

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC(=O)NC2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3C(F)(F)F

InChI

InChI=1S/C20H21F3N4O4S/c21-20(22,23)16-8-4-5-9-17(16)32(30,31)27-12-10-26(11-13-27)14-18(28)25-19(29)24-15-6-2-1-3-7-15/h1-9H,10-14H2,(H2,24,25,28,29)/p+1