N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]-3,5-bis(trifluoromethyl)benzamide

Systemtic Name: N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]-3,5-bis(trifluoromethyl)benzamide Openeye Name: N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]-3,5-bis(trifluoromethyl)benzamide CAS Name: N-[4-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]phenyl]-3,5-bis(trifluoromethyl)benzamide IUPAC Name: N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]-3,5-bis(trifluoromethyl)benzamide Traditional Name: N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]-3,5-bis(trifluoromethyl)benzamide Formula: C20H20F6N3O3S+ MolecularWeight: 496.446519

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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(=CC(=C3)C(F)(F)F)C(F)(F)F

Isomeric SMILES

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

InChI

InChI=1S/C20H19F6N3O3S/c1-28-6-8-29(9-7-28)33(31,32)17-4-2-16(3-5-17)27-18(30)13-10-14(19(21,22)23)12-15(11-13)20(24,25)26/h2-5,10-12H,6-9H2,1H3,(H,27,30)/p+1