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

Systemtic Name: 4-[[6-azanyl-4-oxidanylidene-2-(trifluoromethyl)-4aH-quinazolin-3-ium-3-yl]methyl]benzenesulfonamide Openeye Name: 4-[[6-amino-4-oxo-2-(trifluoromethyl)-4aH-quinazolin-3-ium-3-yl]methyl]benzenesulfonamide CAS Name: 4-[[6-amino-4-oxo-2-(trifluoromethyl)-4aH-quinazolin-3-ium-3-yl]methyl]benzenesulfonamide IUPAC Name: 4-[[6-amino-4-oxo-2-(trifluoromethyl)-4aH-quinazolin-3-ium-3-yl]methyl]benzenesulfonamide Traditional Name: 4-[[6-amino-4-keto-2-(trifluoromethyl)-4aH-quinazolin-3-ium-3-yl]methyl]benzenesulfonamide Formula: C16H14F3N4O3S+ MolecularWeight: 399.36757

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C[N+]2=C(N=C3C=CC(=CC3C2=O)N)C(F)(F)F)S(=O)(=O)N

Isomeric SMILES

C1=CC(=CC=C1C[N+]2=C(N=C3C=CC(=CC3C2=O)N)C(F)(F)F)S(=O)(=O)N

InChI

InChI=1S/C16H14F3N4O3S/c17-16(18,19)15-22-13-6-3-10(20)7-12(13)14(24)23(15)8-9-1-4-11(5-2-9)27(21,25)26/h1-7,12H,8,20H2,(H2,21,25,26)/q+1