methyl 3-[[(4-oxidanylidene-3-propan-2-yl-phthalazin-1-yl)carbonylamino]sulfamoyl]benzoate

Systemtic Name: methyl 3-[[(4-oxidanylidene-3-propan-2-yl-phthalazin-1-yl)carbonylamino]sulfamoyl]benzoate Openeye Name: methyl 3-[[(3-isopropyl-4-oxo-phthalazine-1-carbonyl)amino]sulfamoyl]benzoate CAS Name: 3-[[[oxo-(4-oxo-3-propan-2-yl-1-phthalazinyl)methyl]amino]sulfamoyl]benzoic acid methyl ester IUPAC Name: methyl 3-[[(4-oxo-3-propan-2-ylphthalazine-1-carbonyl)amino]sulfamoyl]benzoate Traditional Name: 3-[[(3-isopropyl-4-keto-phthalazine-1-carbonyl)amino]sulfamoyl]benzoic acid methyl ester Formula: C20H20N4O6S MolecularWeight: 444.461

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=O)C2=CC=CC=C2C(=N1)C(=O)NNS(=O)(=O)C3=CC=CC(=C3)C(=O)OC

Isomeric SMILES

CC(C)N1C(=O)C2=CC=CC=C2C(=N1)C(=O)NNS(=O)(=O)C3=CC=CC(=C3)C(=O)OC

InChI

InChI=1S/C20H20N4O6S/c1-12(2)24-19(26)16-10-5-4-9-15(16)17(22-24)18(25)21-23-31(28,29)14-8-6-7-13(11-14)20(27)30-3/h4-12,23H,1-3H3,(H,21,25)