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

Systemtic Name: (7-chloranyl-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl 4-methoxy-3-(propan-2-ylsulfamoyl)benzoate Openeye Name: (7-chloro-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl 3-(isopropylsulfamoyl)-4-methoxy-benzoate CAS Name: 4-methoxy-3-(propan-2-ylsulfamoyl)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-(propan-2-ylsulfamoyl)benzoate Traditional Name: 3-(isopropylsulfamoyl)-4-methoxy-benzoic acid (7-chloro-4-keto-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl ester Formula: C20H21ClN3O6S+ MolecularWeight: 466.91524

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20ClN3O6S/c1-12(2)23-31(27,28)17-8-13(4-6-16(17)29-3)20(26)30-11-15-9-19(25)24-10-14(21)5-7-18(24)22-15/h4-10,12,23H,11H2,1-3H3/p+1