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

Systemtic Name: (7-bromanyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl 3-(methylsulfonylamino)benzoate Openeye Name: (7-bromo-4-oxo-pyrido[1,2-a]pyrimidin-2-yl)methyl 3-(methanesulfonamido)benzoate CAS Name: 3-(methanesulfonamido)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-(methanesulfonamido)benzoate Traditional Name: 3-(methanesulfonamido)benzoic acid (7-bromo-4-keto-pyrido[1,2-a]pyrimidin-2-yl)methyl ester Formula: C17H14BrN3O5S MolecularWeight: 452.27916

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)NC1=CC=CC(=C1)C(=O)OCC2=CC(=O)N3C=C(C=CC3=N2)Br

Isomeric SMILES

CS(=O)(=O)NC1=CC=CC(=C1)C(=O)OCC2=CC(=O)N3C=C(C=CC3=N2)Br

InChI

InChI=1S/C17H14BrN3O5S/c1-27(24,25)20-13-4-2-3-11(7-13)17(23)26-10-14-8-16(22)21-9-12(18)5-6-15(21)19-14/h2-9,20H,10H2,1H3