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

Systemtic Name: ethyl 4-[[(4-oxidanylidene-3-propan-2-yl-phthalazin-1-yl)carbonylamino]sulfamoyl]benzoate Openeye Name: ethyl 4-[[(3-isopropyl-4-oxo-phthalazine-1-carbonyl)amino]sulfamoyl]benzoate CAS Name: 4-[[[oxo-(4-oxo-3-propan-2-yl-1-phthalazinyl)methyl]amino]sulfamoyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[(4-oxo-3-propan-2-ylphthalazine-1-carbonyl)amino]sulfamoyl]benzoate Traditional Name: 4-[[(3-isopropyl-4-keto-phthalazine-1-carbonyl)amino]sulfamoyl]benzoic acid ethyl ester Formula: C21H22N4O6S MolecularWeight: 458.48758

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)NNC(=O)C2=NN(C(=O)C3=CC=CC=C32)C(C)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)NNC(=O)C2=NN(C(=O)C3=CC=CC=C32)C(C)C

InChI

InChI=1S/C21H22N4O6S/c1-4-31-21(28)14-9-11-15(12-10-14)32(29,30)24-22-19(26)18-16-7-5-6-8-17(16)20(27)25(23-18)13(2)3/h5-13,24H,4H2,1-3H3,(H,22,26)