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

Systemtic Name: 4-fluoranyl-N-methyl-N-[4-[(3-nitro-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)oxy]phenyl]benzenesulfonamide Openeye Name: 4-fluoro-N-methyl-N-[4-[(3-nitro-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)oxy]phenyl]benzenesulfonamide CAS Name: 4-fluoro-N-methyl-N-[4-[(3-nitro-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)oxy]phenyl]benzenesulfonamide IUPAC Name: 4-fluoro-N-methyl-N-[4-[(3-nitro-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)oxy]phenyl]benzenesulfonamide Traditional Name: 4-fluoro-N-[4-[(4-keto-3-nitro-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)oxy]phenyl]-N-methyl-benzenesulfonamide Formula: C21H16FN4O6S+ MolecularWeight: 471.438343

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=C(C=C1)OC2=C(C(=O)[N+]3=CC=CC=C3N2)[N+](=O)[O-])S(=O)(=O)C4=CC=C(C=C4)F

Isomeric SMILES

CN(C1=CC=C(C=C1)OC2=C(C(=O)[N+]3=CC=CC=C3N2)[N+](=O)[O-])S(=O)(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C21H15FN4O6S/c1-24(33(30,31)17-11-5-14(22)6-12-17)15-7-9-16(10-8-15)32-20-19(26(28)29)21(27)25-13-3-2-4-18(25)23-20/h2-13H,1H3/p+1