N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]-2-(trifluoromethyl)quinazolin-4-amine

Systemtic Name: N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]-2-(trifluoromethyl)quinazolin-4-amine Openeye Name: N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]-2-(trifluoromethyl)quinazolin-4-amine CAS Name: N-[4-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]phenyl]-2-(trifluoromethyl)-4-quinazolinamine IUPAC Name: N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]-2-(trifluoromethyl)quinazolin-4-amine Traditional Name: [4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]-[2-(trifluoromethyl)quinazolin-4-yl]amine Formula: C20H21F3N5O2S+ MolecularWeight: 452.47325

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC3=NC(=NC4=CC=CC=C43)C(F)(F)F

Isomeric SMILES

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC3=NC(=NC4=CC=CC=C43)C(F)(F)F

InChI

InChI=1S/C20H20F3N5O2S/c1-27-10-12-28(13-11-27)31(29,30)15-8-6-14(7-9-15)24-18-16-4-2-3-5-17(16)25-19(26-18)20(21,22)23/h2-9H,10-13H2,1H3,(H,24,25,26)/p+1