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

Systemtic Name: (4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl 4-chloranyl-3-(dimethylsulfamoyl)benzoate Openeye Name: (4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl 4-chloro-3-(dimethylsulfamoyl)benzoate CAS Name: 4-chloro-3-(dimethylsulfamoyl)benzoic acid (4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl ester IUPAC Name: (4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl 4-chloro-3-(dimethylsulfamoyl)benzoate Traditional Name: 4-chloro-3-(dimethylsulfamoyl)benzoic acid (4-keto-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl ester Formula: C18H17ClN3O5S+ MolecularWeight: 422.86268

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)S(=O)(=O)C1=C(C=CC(=C1)C(=O)OCC2=CC(=O)[N+]3=CC=CC=C3N2)Cl

Isomeric SMILES

CN(C)S(=O)(=O)C1=C(C=CC(=C1)C(=O)OCC2=CC(=O)[N+]3=CC=CC=C3N2)Cl

InChI

InChI=1S/C18H16ClN3O5S/c1-21(2)28(25,26)15-9-12(6-7-14(15)19)18(24)27-11-13-10-17(23)22-8-4-3-5-16(22)20-13/h3-10H,11H2,1-2H3/p+1