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

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

Systemtic Name:(7-bromanyl-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl 3-(methylsulfamoyl)benzoate
Openeye Name:(7-bromo-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl 3-(methylsulfamoyl)benzoate
CAS Name:3-(methylsulfamoyl)benzoic 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-(methylsulfamoyl)benzoate
Traditional Name:3-(methylsulfamoyl)benzoic acid (7-bromo-4-keto-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl ester
Formula: C17H15BrN3O5S+
MolecularWeight: 453.2871
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C17H14BrN3O5S/c1-19-27(24,25)14-4-2-3-11(7-14)17(23)26-10-13-8-16(22)21-9-12(18)5-6-15(21)20-13/h2-9,19H,10H2,1H3/p+1


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