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

Systemtic Name: (7-bromanyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl 3-(diethylsulfamoyl)benzoate Openeye Name: (7-bromo-4-oxo-pyrido[1,2-a]pyrimidin-2-yl)methyl 3-(diethylsulfamoyl)benzoate CAS Name: 3-(diethylsulfamoyl)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-(diethylsulfamoyl)benzoate Traditional Name: 3-(diethylsulfamoyl)benzoic acid (7-bromo-4-keto-pyrido[1,2-a]pyrimidin-2-yl)methyl ester Formula: C20H20BrN3O5S MolecularWeight: 494.3589

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20BrN3O5S/c1-3-23(4-2)30(27,28)17-7-5-6-14(10-17)20(26)29-13-16-11-19(25)24-12-15(21)8-9-18(24)22-16/h5-12H,3-4,13H2,1-2H3