2-[4-(1-methylpyrazol-4-yl)sulfonylpiperazin-1-ium-1-yl]-N-[4-(trifluoromethyloxy)phenyl]ethanamide

Systemtic Name: 2-[4-(1-methylpyrazol-4-yl)sulfonylpiperazin-1-ium-1-yl]-N-[4-(trifluoromethyloxy)phenyl]ethanamide Openeye Name: 2-[4-(1-methylpyrazol-4-yl)sulfonylpiperazin-1-ium-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide CAS Name: 2-[4-[(1-methyl-4-pyrazolyl)sulfonyl]-1-piperazin-1-iumyl]-N-[4-(trifluoromethoxy)phenyl]acetamide IUPAC Name: 2-[4-(1-methylpyrazol-4-yl)sulfonylpiperazin-1-ium-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide Traditional Name: 2-[4-(1-methylpyrazol-4-yl)sulfonylpiperazin-1-ium-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide Formula: C17H21F3N5O4S+ MolecularWeight: 448.43995

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)S(=O)(=O)N2CC[NH+](CC2)CC(=O)NC3=CC=C(C=C3)OC(F)(F)F

Isomeric SMILES

CN1C=C(C=N1)S(=O)(=O)N2CC[NH+](CC2)CC(=O)NC3=CC=C(C=C3)OC(F)(F)F

InChI

InChI=1S/C17H20F3N5O4S/c1-23-11-15(10-21-23)30(27,28)25-8-6-24(7-9-25)12-16(26)22-13-2-4-14(5-3-13)29-17(18,19)20/h2-5,10-11H,6-9,12H2,1H3,(H,22,26)/p+1