3-[[(3-nitro-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)amino]methyl]benzenesulfonamide

Systemtic Name: 3-[[(3-nitro-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)amino]methyl]benzenesulfonamide Openeye Name: 3-[[(3-nitro-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)amino]methyl]benzenesulfonamide CAS Name: 3-[[(3-nitro-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)amino]methyl]benzenesulfonamide IUPAC Name: 3-[[(3-nitro-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)amino]methyl]benzenesulfonamide Traditional Name: 3-[[(4-keto-3-nitro-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)amino]methyl]benzenesulfonamide Formula: C15H14N5O5S+ MolecularWeight: 376.36716

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=[N+]2C(=C1)NC(=C(C2=O)[N+](=O)[O-])NCC3=CC(=CC=C3)S(=O)(=O)N

Isomeric SMILES

C1=CC=[N+]2C(=C1)NC(=C(C2=O)[N+](=O)[O-])NCC3=CC(=CC=C3)S(=O)(=O)N

InChI

InChI=1S/C15H13N5O5S/c16-26(24,25)11-5-3-4-10(8-11)9-17-14-13(20(22)23)15(21)19-7-2-1-6-12(19)18-14/h1-8H,9H2,(H3,16,17,21,24,25)/p+1