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

Systemtic Name: (7-methyl-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl 4-(cyclopropylsulfamoyl)benzoate Openeye Name: (7-methyl-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl 4-(cyclopropylsulfamoyl)benzoate CAS Name: 4-(cyclopropylsulfamoyl)benzoic acid (7-methyl-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl ester IUPAC Name: (7-methyl-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl 4-(cyclopropylsulfamoyl)benzoate Traditional Name: 4-(cyclopropylsulfamoyl)benzoic acid (4-keto-7-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=C[N+]2=C(C=C1)NC(=CC2=O)COC(=O)C3=CC=C(C=C3)S(=O)(=O)NC4CC4

Isomeric SMILES

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

InChI

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