2-[1-oxidanylidene-4-(pyridin-3-ylmethyl)phthalazin-2-yl]-N-(4-sulfamoylphenyl)ethanamide

Systemtic Name: 2-[1-oxidanylidene-4-(pyridin-3-ylmethyl)phthalazin-2-yl]-N-(4-sulfamoylphenyl)ethanamide Openeye Name: 2-[1-oxo-4-(3-pyridylmethyl)phthalazin-2-yl]-N-(4-sulfamoylphenyl)acetamide CAS Name: 2-[1-oxo-4-(3-pyridinylmethyl)-2-phthalazinyl]-N-(4-sulfamoylphenyl)acetamide IUPAC Name: 2-[1-oxo-4-(pyridin-3-ylmethyl)phthalazin-2-yl]-N-(4-sulfamoylphenyl)acetamide Traditional Name: 2-[1-keto-4-(3-pyridylmethyl)phthalazin-2-yl]-N-(4-sulfamoylphenyl)acetamide Formula: C22H19N5O4S MolecularWeight: 449.48236

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NN(C2=O)CC(=O)NC3=CC=C(C=C3)S(=O)(=O)N)CC4=CN=CC=C4

Isomeric SMILES

C1=CC=C2C(=C1)C(=NN(C2=O)CC(=O)NC3=CC=C(C=C3)S(=O)(=O)N)CC4=CN=CC=C4

InChI

InChI=1S/C22H19N5O4S/c23-32(30,31)17-9-7-16(8-10-17)25-21(28)14-27-22(29)19-6-2-1-5-18(19)20(26-27)12-15-4-3-11-24-13-15/h1-11,13H,12,14H2,(H,25,28)(H2,23,30,31)