3-[4-[[(4-oxidanylidene-3-propyl-phthalazin-1-yl)carbonylamino]sulfamoyl]phenyl]propanoate

Systemtic Name: 3-[4-[[(4-oxidanylidene-3-propyl-phthalazin-1-yl)carbonylamino]sulfamoyl]phenyl]propanoate Openeye Name: 3-[4-[[(4-oxo-3-propyl-phthalazine-1-carbonyl)amino]sulfamoyl]phenyl]propanoate CAS Name: 3-[4-[[[oxo-(4-oxo-3-propyl-1-phthalazinyl)methyl]amino]sulfamoyl]phenyl]propanoate IUPAC Name: 3-[4-[[(4-oxo-3-propylphthalazine-1-carbonyl)amino]sulfamoyl]phenyl]propanoate Traditional Name: 3-[4-[[(4-keto-3-propyl-phthalazine-1-carbonyl)amino]sulfamoyl]phenyl]propionate Formula: C21H21N4O6S- MolecularWeight: 457.47964

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NNS(=O)(=O)C3=CC=C(C=C3)CCC(=O)[O-]

Isomeric SMILES

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NNS(=O)(=O)C3=CC=C(C=C3)CCC(=O)[O-]

InChI

InChI=1S/C21H22N4O6S/c1-2-13-25-21(29)17-6-4-3-5-16(17)19(23-25)20(28)22-24-32(30,31)15-10-7-14(8-11-15)9-12-18(26)27/h3-8,10-11,24H,2,9,12-13H2,1H3,(H,22,28)(H,26,27)/p-1