(7-bromanyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl 3-[(4-methoxyphenyl)sulfamoyl]benzoate

Systemtic Name: (7-bromanyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl 3-[(4-methoxyphenyl)sulfamoyl]benzoate Openeye Name: (7-bromo-4-oxo-pyrido[1,2-a]pyrimidin-2-yl)methyl 3-[(4-methoxyphenyl)sulfamoyl]benzoate CAS Name: 3-[(4-methoxyphenyl)sulfamoyl]benzoic acid (7-bromo-4-oxo-2-pyrido[1,2-a]pyrimidinyl)methyl ester IUPAC Name: (7-bromo-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 3-[(4-methoxyphenyl)sulfamoyl]benzoate Traditional Name: 3-[(4-methoxyphenyl)sulfamoyl]benzoic acid (7-bromo-4-keto-pyrido[1,2-a]pyrimidin-2-yl)methyl ester Formula: C23H18BrN3O6S MolecularWeight: 544.37452

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NS(=O)(=O)C2=CC=CC(=C2)C(=O)OCC3=CC(=O)N4C=C(C=CC4=N3)Br

Isomeric SMILES

COC1=CC=C(C=C1)NS(=O)(=O)C2=CC=CC(=C2)C(=O)OCC3=CC(=O)N4C=C(C=CC4=N3)Br

InChI

InChI=1S/C23H18BrN3O6S/c1-32-19-8-6-17(7-9-19)26-34(30,31)20-4-2-3-15(11-20)23(29)33-14-18-12-22(28)27-13-16(24)5-10-21(27)25-18/h2-13,26H,14H2,1H3