3-[[(4-oxidanylidene-3-propan-2-yl-phthalazin-1-yl)carbonylamino]sulfamoyl]benzoic acid

Systemtic Name: 3-[[(4-oxidanylidene-3-propan-2-yl-phthalazin-1-yl)carbonylamino]sulfamoyl]benzoic acid Openeye Name: 3-[[(3-isopropyl-4-oxo-phthalazine-1-carbonyl)amino]sulfamoyl]benzoic acid CAS Name: 3-[[[oxo-(4-oxo-3-propan-2-yl-1-phthalazinyl)methyl]amino]sulfamoyl]benzoic acid IUPAC Name: 3-[[(4-oxo-3-propan-2-ylphthalazine-1-carbonyl)amino]sulfamoyl]benzoic acid Traditional Name: 3-[[(3-isopropyl-4-keto-phthalazine-1-carbonyl)amino]sulfamoyl]benzoic acid Formula: C19H18N4O6S MolecularWeight: 430.43442

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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)O

Isomeric SMILES

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

InChI

InChI=1S/C19H18N4O6S/c1-11(2)23-18(25)15-9-4-3-8-14(15)16(21-23)17(24)20-22-30(28,29)13-7-5-6-12(10-13)19(26)27/h3-11,22H,1-2H3,(H,20,24)(H,26,27)