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

Systemtic Name: methyl 4-chloranyl-3-[[(4-oxidanylidene-3-propan-2-yl-phthalazin-1-yl)carbonylamino]sulfamoyl]benzoate Openeye Name: methyl 4-chloro-3-[[(3-isopropyl-4-oxo-phthalazine-1-carbonyl)amino]sulfamoyl]benzoate CAS Name: 4-chloro-3-[[[oxo-(4-oxo-3-propan-2-yl-1-phthalazinyl)methyl]amino]sulfamoyl]benzoic acid methyl ester IUPAC Name: methyl 4-chloro-3-[[(4-oxo-3-propan-2-ylphthalazine-1-carbonyl)amino]sulfamoyl]benzoate Traditional Name: 4-chloro-3-[[(3-isopropyl-4-keto-phthalazine-1-carbonyl)amino]sulfamoyl]benzoic acid methyl ester Formula: C20H19ClN4O6S MolecularWeight: 478.90606

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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=C(C=CC(=C3)C(=O)OC)Cl

Isomeric SMILES

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

InChI

InChI=1S/C20H19ClN4O6S/c1-11(2)25-19(27)14-7-5-4-6-13(14)17(23-25)18(26)22-24-32(29,30)16-10-12(20(28)31-3)8-9-15(16)21/h4-11,24H,1-3H3,(H,22,26)