(7-bromanyl-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl 3-(diethylsulfamoyl)-4-fluoranyl-benzoate

Systemtic Name: (7-bromanyl-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl 3-(diethylsulfamoyl)-4-fluoranyl-benzoate Openeye Name: (7-bromo-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl 3-(diethylsulfamoyl)-4-fluoro-benzoate CAS Name: 3-(diethylsulfamoyl)-4-fluorobenzoic acid (7-bromo-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl ester IUPAC Name: (7-bromo-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl 3-(diethylsulfamoyl)-4-fluorobenzoate Traditional Name: 3-(diethylsulfamoyl)-4-fluoro-benzoic acid (7-bromo-4-keto-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl ester Formula: C20H20BrFN3O5S+ MolecularWeight: 513.357303

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=C(C=CC(=C1)C(=O)OCC2=CC(=O)[N+]3=C(N2)C=CC(=C3)Br)F

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=C(C=CC(=C1)C(=O)OCC2=CC(=O)[N+]3=C(N2)C=CC(=C3)Br)F

InChI

InChI=1S/C20H19BrFN3O5S/c1-3-24(4-2)31(28,29)17-9-13(5-7-16(17)22)20(27)30-12-15-10-19(26)25-11-14(21)6-8-18(25)23-15/h5-11H,3-4,12H2,1-2H3/p+1