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

Systemtic Name: methyl 4-methyl-3-[[(4-oxidanylidene-3-propyl-phthalazin-1-yl)carbonylamino]sulfamoyl]benzoate Openeye Name: methyl 4-methyl-3-[[(4-oxo-3-propyl-phthalazine-1-carbonyl)amino]sulfamoyl]benzoate CAS Name: 4-methyl-3-[[[oxo-(4-oxo-3-propyl-1-phthalazinyl)methyl]amino]sulfamoyl]benzoic acid methyl ester IUPAC Name: methyl 4-methyl-3-[[(4-oxo-3-propylphthalazine-1-carbonyl)amino]sulfamoyl]benzoate Traditional Name: 3-[[(4-keto-3-propyl-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:

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NNS(=O)(=O)C3=C(C=CC(=C3)C(=O)OC)C

Isomeric SMILES

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NNS(=O)(=O)C3=C(C=CC(=C3)C(=O)OC)C

InChI

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