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

Systemtic Name: (7-chloranyl-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl 3-(cyclopentylsulfamoyl)-4-methoxy-benzoate Openeye Name: (7-chloro-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl 3-(cyclopentylsulfamoyl)-4-methoxy-benzoate CAS Name: 3-(cyclopentylsulfamoyl)-4-methoxybenzoic 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 3-(cyclopentylsulfamoyl)-4-methoxybenzoate Traditional Name: 3-(cyclopentylsulfamoyl)-4-methoxy-benzoic acid (7-chloro-4-keto-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl ester Formula: C22H23ClN3O6S+ MolecularWeight: 492.95252

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)OCC2=CC(=O)[N+]3=C(N2)C=CC(=C3)Cl)S(=O)(=O)NC4CCCC4

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)OCC2=CC(=O)[N+]3=C(N2)C=CC(=C3)Cl)S(=O)(=O)NC4CCCC4

InChI

InChI=1S/C22H22ClN3O6S/c1-31-18-8-6-14(10-19(18)33(29,30)25-16-4-2-3-5-16)22(28)32-13-17-11-21(27)26-12-15(23)7-9-20(26)24-17/h6-12,16,25H,2-5,13H2,1H3/p+1