(7-chloranyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl 3-(diethylsulfamoyl)-4-methoxy-benzoate

Systemtic Name: (7-chloranyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl 3-(diethylsulfamoyl)-4-methoxy-benzoate Openeye Name: (7-chloro-4-oxo-pyrido[1,2-a]pyrimidin-2-yl)methyl 3-(diethylsulfamoyl)-4-methoxy-benzoate CAS Name: 3-(diethylsulfamoyl)-4-methoxybenzoic 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 3-(diethylsulfamoyl)-4-methoxybenzoate Traditional Name: 3-(diethylsulfamoyl)-4-methoxy-benzoic acid (7-chloro-4-keto-pyrido[1,2-a]pyrimidin-2-yl)methyl ester Formula: C21H22ClN3O6S MolecularWeight: 479.93388

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=C(C=CC(=C1)C(=O)OCC2=CC(=O)N3C=C(C=CC3=N2)Cl)OC

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=C(C=CC(=C1)C(=O)OCC2=CC(=O)N3C=C(C=CC3=N2)Cl)OC

InChI

InChI=1S/C21H22ClN3O6S/c1-4-24(5-2)32(28,29)18-10-14(6-8-17(18)30-3)21(27)31-13-16-11-20(26)25-12-15(22)7-9-19(25)23-16/h6-12H,4-5,13H2,1-3H3