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

Systemtic Name: (6-methyl-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl 3-(cyclopropylsulfamoyl)benzoate Openeye Name: (6-methyl-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl 3-(cyclopropylsulfamoyl)benzoate CAS Name: 3-(cyclopropylsulfamoyl)benzoic acid (6-methyl-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl ester IUPAC Name: (6-methyl-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl 3-(cyclopropylsulfamoyl)benzoate Traditional Name: 3-(cyclopropylsulfamoyl)benzoic acid (4-keto-6-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl ester Formula: C20H20N3O5S+ MolecularWeight: 414.4549

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+]2C(=CC=C1)NC(=CC2=O)COC(=O)C3=CC(=CC=C3)S(=O)(=O)NC4CC4

Isomeric SMILES

CC1=[N+]2C(=CC=C1)NC(=CC2=O)COC(=O)C3=CC(=CC=C3)S(=O)(=O)NC4CC4

InChI

InChI=1S/C20H19N3O5S/c1-13-4-2-7-18-21-16(11-19(24)23(13)18)12-28-20(25)14-5-3-6-17(10-14)29(26,27)22-15-8-9-15/h2-7,10-11,15,22H,8-9,12H2,1H3/p+1