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

Systemtic Name: 4-[(6-azanyl-4-oxidanylidene-4aH-quinazolin-3-ium-3-yl)methyl]benzenesulfonamide Openeye Name: 4-[(6-amino-4-oxo-4aH-quinazolin-3-ium-3-yl)methyl]benzenesulfonamide CAS Name: 4-[(6-amino-4-oxo-4aH-quinazolin-3-ium-3-yl)methyl]benzenesulfonamide IUPAC Name: 4-[(6-amino-4-oxo-4aH-quinazolin-3-ium-3-yl)methyl]benzenesulfonamide Traditional Name: 4-[(6-amino-4-keto-4aH-quinazolin-3-ium-3-yl)methyl]benzenesulfonamide Formula: C15H15N4O3S+ MolecularWeight: 331.3696

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H15N4O3S/c16-11-3-6-14-13(7-11)15(20)19(9-18-14)8-10-1-4-12(5-2-10)23(17,21)22/h1-7,9,13H,8,16H2,(H2,17,21,22)/q+1