methyl 3-[[(4-oxidanylidene-3-pentyl-phthalazin-1-yl)carbonylamino]sulfamoyl]thiophene-2-carboxylate

Systemtic Name: methyl 3-[[(4-oxidanylidene-3-pentyl-phthalazin-1-yl)carbonylamino]sulfamoyl]thiophene-2-carboxylate Openeye Name: methyl 3-[[(4-oxo-3-pentyl-phthalazine-1-carbonyl)amino]sulfamoyl]thiophene-2-carboxylate CAS Name: 3-[[[oxo-(4-oxo-3-pentyl-1-phthalazinyl)methyl]amino]sulfamoyl]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[[(4-oxo-3-pentylphthalazine-1-carbonyl)amino]sulfamoyl]thiophene-2-carboxylate Traditional Name: 3-[[(3-amyl-4-keto-phthalazine-1-carbonyl)amino]sulfamoyl]thiophene-2-carboxylic acid methyl ester Formula: C20H22N4O6S2 MolecularWeight: 478.54188

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NNS(=O)(=O)C3=C(SC=C3)C(=O)OC

Isomeric SMILES

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NNS(=O)(=O)C3=C(SC=C3)C(=O)OC

InChI

InChI=1S/C20H22N4O6S2/c1-3-4-7-11-24-19(26)14-9-6-5-8-13(14)16(22-24)18(25)21-23-32(28,29)15-10-12-31-17(15)20(27)30-2/h5-6,8-10,12,23H,3-4,7,11H2,1-2H3,(H,21,25)