(4-oxidanylidenepyrido[1,2-a]pyrimidin-2-yl)methyl 4-(2-cyanoethylsulfamoyl)benzoate

Systemtic Name: (4-oxidanylidenepyrido[1,2-a]pyrimidin-2-yl)methyl 4-(2-cyanoethylsulfamoyl)benzoate Openeye Name: (4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 4-(2-cyanoethylsulfamoyl)benzoate CAS Name: 4-(2-cyanoethylsulfamoyl)benzoic acid (4-oxo-2-pyrido[1,2-a]pyrimidinyl)methyl ester IUPAC Name: (4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 4-(2-cyanoethylsulfamoyl)benzoate Traditional Name: 4-(2-cyanoethylsulfamoyl)benzoic acid (4-ketopyrido[1,2-a]pyrimidin-2-yl)methyl ester Formula: C19H16N4O5S MolecularWeight: 412.41914

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=NC(=CC(=O)N2C=C1)COC(=O)C3=CC=C(C=C3)S(=O)(=O)NCCC#N

Isomeric SMILES

C1=CC2=NC(=CC(=O)N2C=C1)COC(=O)C3=CC=C(C=C3)S(=O)(=O)NCCC#N

InChI

InChI=1S/C19H16N4O5S/c20-9-3-10-21-29(26,27)16-7-5-14(6-8-16)19(25)28-13-15-12-18(24)23-11-2-1-4-17(23)22-15/h1-2,4-8,11-12,21H,3,10,13H2