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

Systemtic Name: (7-bromanyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl 3-[(3-methylphenyl)sulfamoyl]benzoate Openeye Name: (7-bromo-4-oxo-pyrido[1,2-a]pyrimidin-2-yl)methyl 3-(m-tolylsulfamoyl)benzoate CAS Name: 3-[(3-methylphenyl)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-[(3-methylphenyl)sulfamoyl]benzoate Traditional Name: 3-(m-tolylsulfamoyl)benzoic acid (7-bromo-4-keto-pyrido[1,2-a]pyrimidin-2-yl)methyl ester Formula: C23H18BrN3O5S MolecularWeight: 528.37512

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NS(=O)(=O)C2=CC=CC(=C2)C(=O)OCC3=CC(=O)N4C=C(C=CC4=N3)Br

Isomeric SMILES

CC1=CC(=CC=C1)NS(=O)(=O)C2=CC=CC(=C2)C(=O)OCC3=CC(=O)N4C=C(C=CC4=N3)Br

InChI

InChI=1S/C23H18BrN3O5S/c1-15-4-2-6-18(10-15)26-33(30,31)20-7-3-5-16(11-20)23(29)32-14-19-12-22(28)27-13-17(24)8-9-21(27)25-19/h2-13,26H,14H2,1H3