4-[[(4-oxidanylidene-3H-phthalazin-1-yl)carbonylamino]carbamoyl]-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide

Systemtic Name: 4-[[(4-oxidanylidene-3H-phthalazin-1-yl)carbonylamino]carbamoyl]-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide Openeye Name: 4-[[(4-oxo-3H-phthalazine-1-carbonyl)amino]carbamoyl]-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide CAS Name: 4-[oxo-[[oxo-(4-oxo-3H-phthalazin-1-yl)methyl]hydrazo]methyl]-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide IUPAC Name: 4-[[(4-oxo-3H-phthalazine-1-carbonyl)amino]carbamoyl]-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide Traditional Name: 4-[[(4-keto-3H-phthalazine-1-carbonyl)amino]carbamoyl]-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide Formula: C23H16F3N5O5S MolecularWeight: 531.46385

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NNC2=O)C(=O)NNC(=O)C3=CC=C(C=C3)S(=O)(=O)NC4=CC=CC(=C4)C(F)(F)F

Isomeric SMILES

C1=CC=C2C(=C1)C(=NNC2=O)C(=O)NNC(=O)C3=CC=C(C=C3)S(=O)(=O)NC4=CC=CC(=C4)C(F)(F)F

InChI

InChI=1S/C23H16F3N5O5S/c24-23(25,26)14-4-3-5-15(12-14)31-37(35,36)16-10-8-13(9-11-16)20(32)28-30-22(34)19-17-6-1-2-7-18(17)21(33)29-27-19/h1-12,31H,(H,28,32)(H,29,33)(H,30,34)