7-chloranyl-2-[[4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-ium-1-yl]methyl]quinazolin-4-olate

Systemtic Name: 7-chloranyl-2-[[4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-ium-1-yl]methyl]quinazolin-4-olate Openeye Name: 7-chloro-2-[[4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-ium-1-yl]methyl]quinazolin-4-olate CAS Name: 7-chloro-2-[[4-[2-(trifluoromethyl)phenyl]sulfonyl-1-piperazin-1-iumyl]methyl]-4-quinazolinolate IUPAC Name: 7-chloro-2-[[4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-ium-1-yl]methyl]quinazolin-4-olate Traditional Name: 7-chloro-2-[[4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-ium-1-yl]methyl]quinazolin-4-olate Formula: C20H18ClF3N4O3S MolecularWeight: 486.89513

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=NC3=C(C=CC(=C3)Cl)C(=N2)[O-])S(=O)(=O)C4=CC=CC=C4C(F)(F)F

Isomeric SMILES

C1CN(CC[NH+]1CC2=NC3=C(C=CC(=C3)Cl)C(=N2)[O-])S(=O)(=O)C4=CC=CC=C4C(F)(F)F

InChI

InChI=1S/C20H18ClF3N4O3S/c21-13-5-6-14-16(11-13)25-18(26-19(14)29)12-27-7-9-28(10-8-27)32(30,31)17-4-2-1-3-15(17)20(22,23)24/h1-6,11H,7-10,12H2,(H,25,26,29)