4-[2-[6-azanyl-4-oxidanylidene-2-(trifluoromethyl)-4aH-quinazolin-3-ium-3-yl]ethyl]benzenesulfonamide

Systemtic Name: 4-[2-[6-azanyl-4-oxidanylidene-2-(trifluoromethyl)-4aH-quinazolin-3-ium-3-yl]ethyl]benzenesulfonamide Openeye Name: 4-[2-[6-amino-4-oxo-2-(trifluoromethyl)-4aH-quinazolin-3-ium-3-yl]ethyl]benzenesulfonamide CAS Name: 4-[2-[6-amino-4-oxo-2-(trifluoromethyl)-4aH-quinazolin-3-ium-3-yl]ethyl]benzenesulfonamide IUPAC Name: 4-[2-[6-amino-4-oxo-2-(trifluoromethyl)-4aH-quinazolin-3-ium-3-yl]ethyl]benzenesulfonamide Traditional Name: 4-[2-[6-amino-4-keto-2-(trifluoromethyl)-4aH-quinazolin-3-ium-3-yl]ethyl]benzenesulfonamide Formula: C17H16F3N4O3S+ MolecularWeight: 413.39415

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC[N+]2=C(N=C3C=CC(=CC3C2=O)N)C(F)(F)F)S(=O)(=O)N

Isomeric SMILES

C1=CC(=CC=C1CC[N+]2=C(N=C3C=CC(=CC3C2=O)N)C(F)(F)F)S(=O)(=O)N

InChI

InChI=1S/C17H16F3N4O3S/c18-17(19,20)16-23-14-6-3-11(21)9-13(14)15(25)24(16)8-7-10-1-4-12(5-2-10)28(22,26)27/h1-6,9,13H,7-8,21H2,(H2,22,26,27)/q+1