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

Systemtic Name: methyl 4-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]-4-methyl-benzoate CAS Name: 4-methyl-3-[[[oxo-(4-oxo-3-propan-2-yl-1-phthalazinyl)methyl]amino]sulfamoyl]benzoic acid methyl ester IUPAC Name: methyl 4-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]-4-methyl-benzoic acid methyl ester Formula: C21H22N4O6S MolecularWeight: 458.48758

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC)S(=O)(=O)NNC(=O)C2=NN(C(=O)C3=CC=CC=C32)C(C)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC)S(=O)(=O)NNC(=O)C2=NN(C(=O)C3=CC=CC=C32)C(C)C

InChI

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