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

Systemtic Name: (7-chloranyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl 4-(furan-2-ylmethylsulfamoyl)benzoate Openeye Name: (7-chloro-4-oxo-pyrido[1,2-a]pyrimidin-2-yl)methyl 4-(2-furylmethylsulfamoyl)benzoate CAS Name: 4-(2-furanylmethylsulfamoyl)benzoic 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-(furan-2-ylmethylsulfamoyl)benzoate Traditional Name: 4-(2-furfurylsulfamoyl)benzoic acid (7-chloro-4-keto-pyrido[1,2-a]pyrimidin-2-yl)methyl ester Formula: C21H16ClN3O6S MolecularWeight: 473.88624

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Descriptors Computed from Structure

Canonical SMILES:

C1=COC(=C1)CNS(=O)(=O)C2=CC=C(C=C2)C(=O)OCC3=CC(=O)N4C=C(C=CC4=N3)Cl

Isomeric SMILES

C1=COC(=C1)CNS(=O)(=O)C2=CC=C(C=C2)C(=O)OCC3=CC(=O)N4C=C(C=CC4=N3)Cl

InChI

InChI=1S/C21H16ClN3O6S/c22-15-5-8-19-24-16(10-20(26)25(19)12-15)13-31-21(27)14-3-6-18(7-4-14)32(28,29)23-11-17-2-1-9-30-17/h1-10,12,23H,11,13H2