N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]-4-(trifluoromethyloxy)benzamide

Systemtic Name: N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]-4-(trifluoromethyloxy)benzamide Openeye Name: N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]-4-(trifluoromethoxy)benzamide CAS Name: N-[4-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]phenyl]-4-(trifluoromethoxy)benzamide IUPAC Name: N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]-4-(trifluoromethoxy)benzamide Traditional Name: N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]-4-(trifluoromethoxy)benzamide Formula: C19H21F3N3O4S+ MolecularWeight: 444.44795

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)OC(F)(F)F

Isomeric SMILES

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)OC(F)(F)F

InChI

InChI=1S/C19H20F3N3O4S/c1-24-10-12-25(13-11-24)30(27,28)17-8-4-15(5-9-17)23-18(26)14-2-6-16(7-3-14)29-19(20,21)22/h2-9H,10-13H2,1H3,(H,23,26)/p+1