(7-chloranyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl 4-sulfamoylbenzoate

Systemtic Name: (7-chloranyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl 4-sulfamoylbenzoate Openeye Name: (7-chloro-4-oxo-pyrido[1,2-a]pyrimidin-2-yl)methyl 4-sulfamoylbenzoate CAS Name: 4-sulfamoylbenzoic acid (7-chloro-4-oxo-2-pyrido[1,2-a]pyrimidinyl)methyl ester IUPAC Name: (7-chloro-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 4-sulfamoylbenzoate Traditional Name: 4-sulfamoylbenzoic acid (7-chloro-4-keto-pyrido[1,2-a]pyrimidin-2-yl)methyl ester Formula: C16H12ClN3O5S MolecularWeight: 393.80158

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)OCC2=CC(=O)N3C=C(C=CC3=N2)Cl)S(=O)(=O)N

Isomeric SMILES

C1=CC(=CC=C1C(=O)OCC2=CC(=O)N3C=C(C=CC3=N2)Cl)S(=O)(=O)N

InChI

InChI=1S/C16H12ClN3O5S/c17-11-3-6-14-19-12(7-15(21)20(14)8-11)9-25-16(22)10-1-4-13(5-2-10)26(18,23)24/h1-8H,9H2,(H2,18,23,24)