2-fluoranyl-5-[[(4-oxidanylidene-3-pentyl-phthalazin-1-yl)carbonylamino]sulfamoyl]benzoic acid

Systemtic Name: 2-fluoranyl-5-[[(4-oxidanylidene-3-pentyl-phthalazin-1-yl)carbonylamino]sulfamoyl]benzoic acid Openeye Name: 2-fluoro-5-[[(4-oxo-3-pentyl-phthalazine-1-carbonyl)amino]sulfamoyl]benzoic acid CAS Name: 2-fluoro-5-[[[oxo-(4-oxo-3-pentyl-1-phthalazinyl)methyl]amino]sulfamoyl]benzoic acid IUPAC Name: 2-fluoro-5-[[(4-oxo-3-pentylphthalazine-1-carbonyl)amino]sulfamoyl]benzoic acid Traditional Name: 5-[[(3-amyl-4-keto-phthalazine-1-carbonyl)amino]sulfamoyl]-2-fluoro-benzoic acid Formula: C21H21FN4O6S MolecularWeight: 476.478043

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21FN4O6S/c1-2-3-6-11-26-20(28)15-8-5-4-7-14(15)18(24-26)19(27)23-25-33(31,32)13-9-10-17(22)16(12-13)21(29)30/h4-5,7-10,12,25H,2-3,6,11H2,1H3,(H,23,27)(H,29,30)