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

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

Systemtic Name:(7-bromanyl-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl 4-[(2-methoxyphenyl)-methyl-sulfamoyl]benzoate
Openeye Name:(7-bromo-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl 4-[(2-methoxyphenyl)-methyl-sulfamoyl]benzoate
CAS Name:4-[(2-methoxyphenyl)-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 4-[(2-methoxyphenyl)-methylsulfamoyl]benzoate
Traditional Name:4-[(2-methoxyphenyl)-methyl-sulfamoyl]benzoic acid (7-bromo-4-keto-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl ester
Formula: C24H21BrN3O6S+
MolecularWeight: 559.40904
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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=CC=C1OC)S(=O)(=O)C2=CC=C(C=C2)C(=O)OCC3=CC(=O)[N+]4=C(N3)C=CC(=C4)Br


Isomeric SMILES

CN(C1=CC=CC=C1OC)S(=O)(=O)C2=CC=C(C=C2)C(=O)OCC3=CC(=O)[N+]4=C(N3)C=CC(=C4)Br


InChI

InChI=1S/C24H20BrN3O6S/c1-27(20-5-3-4-6-21(20)33-2)35(31,32)19-10-7-16(8-11-19)24(30)34-15-18-13-23(29)28-14-17(25)9-12-22(28)26-18/h3-14H,15H2,1-2H3/p+1


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