(7-chloranyl-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl 4-methoxy-3-(2-methoxyethylsulfamoyl)benzoate

Systemtic Name: (7-chloranyl-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl 4-methoxy-3-(2-methoxyethylsulfamoyl)benzoate Openeye Name: (7-chloro-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl 4-methoxy-3-(2-methoxyethylsulfamoyl)benzoate CAS Name: 4-methoxy-3-(2-methoxyethylsulfamoyl)benzoic acid (7-chloro-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl ester IUPAC Name: (7-chloro-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl 4-methoxy-3-(2-methoxyethylsulfamoyl)benzoate Traditional Name: 4-methoxy-3-(2-methoxyethylsulfamoyl)benzoic acid (7-chloro-4-keto-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl ester Formula: C20H21ClN3O7S+ MolecularWeight: 482.91464

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COCCNS(=O)(=O)C1=C(C=CC(=C1)C(=O)OCC2=CC(=O)[N+]3=C(N2)C=CC(=C3)Cl)OC

Isomeric SMILES

COCCNS(=O)(=O)C1=C(C=CC(=C1)C(=O)OCC2=CC(=O)[N+]3=C(N2)C=CC(=C3)Cl)OC

InChI

InChI=1S/C20H20ClN3O7S/c1-29-8-7-22-32(27,28)17-9-13(3-5-16(17)30-2)20(26)31-12-15-10-19(25)24-11-14(21)4-6-18(24)23-15/h3-6,9-11,22H,7-8,12H2,1-2H3/p+1