N-(3,4-dihydro-2H-pyrrol-1-ium-5-yl)-3-[[2-(trifluoromethyl)quinazolin-4-yl]amino]benzenesulfonamide

Systemtic Name: N-(3,4-dihydro-2H-pyrrol-1-ium-5-yl)-3-[[2-(trifluoromethyl)quinazolin-4-yl]amino]benzenesulfonamide Openeye Name: N-(3,4-dihydro-2H-pyrrol-1-ium-5-yl)-3-[[2-(trifluoromethyl)quinazolin-4-yl]amino]benzenesulfonamide CAS Name: N-(3,4-dihydro-2H-pyrrol-1-ium-5-yl)-3-[[2-(trifluoromethyl)-4-quinazolinyl]amino]benzenesulfonamide IUPAC Name: N-(3,4-dihydro-2H-pyrrol-1-ium-5-yl)-3-[[2-(trifluoromethyl)quinazolin-4-yl]amino]benzenesulfonamide Traditional Name: N-(1-pyrrolin-1-ium-2-yl)-3-[[2-(trifluoromethyl)quinazolin-4-yl]amino]benzenesulfonamide Formula: C19H17F3N5O2S+ MolecularWeight: 436.43079

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=[NH+]C1)NS(=O)(=O)C2=CC=CC(=C2)NC3=NC(=NC4=CC=CC=C43)C(F)(F)F

Isomeric SMILES

C1CC(=[NH+]C1)NS(=O)(=O)C2=CC=CC(=C2)NC3=NC(=NC4=CC=CC=C43)C(F)(F)F

InChI

InChI=1S/C19H16F3N5O2S/c20-19(21,22)18-25-15-8-2-1-7-14(15)17(26-18)24-12-5-3-6-13(11-12)30(28,29)27-16-9-4-10-23-16/h1-3,5-8,11H,4,9-10H2,(H,23,27)(H,24,25,26)/p+1