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

Systemtic Name: methyl 2-[[(3-methyl-4-oxidanylidene-phthalazin-1-yl)carbonylamino]sulfamoyl]benzoate Openeye Name: methyl 2-[[(3-methyl-4-oxo-phthalazine-1-carbonyl)amino]sulfamoyl]benzoate CAS Name: 2-[[[(3-methyl-4-oxo-1-phthalazinyl)-oxomethyl]amino]sulfamoyl]benzoic acid methyl ester IUPAC Name: methyl 2-[[(3-methyl-4-oxophthalazine-1-carbonyl)amino]sulfamoyl]benzoate Traditional Name: 2-[[(4-keto-3-methyl-phthalazine-1-carbonyl)amino]sulfamoyl]benzoic acid methyl ester Formula: C18H16N4O6S MolecularWeight: 416.40784

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NNS(=O)(=O)C3=CC=CC=C3C(=O)OC

Isomeric SMILES

CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NNS(=O)(=O)C3=CC=CC=C3C(=O)OC

InChI

InChI=1S/C18H16N4O6S/c1-22-17(24)12-8-4-3-7-11(12)15(20-22)16(23)19-21-29(26,27)14-10-6-5-9-13(14)18(25)28-2/h3-10,21H,1-2H3,(H,19,23)