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

Systemtic Name: N-(4-butylphenyl)-4-methyl-3-[[(4-oxidanylidene-3H-phthalazin-1-yl)carbonylamino]carbamoyl]benzenesulfonamide Openeye Name: N-(4-butylphenyl)-4-methyl-3-[[(4-oxo-3H-phthalazine-1-carbonyl)amino]carbamoyl]benzenesulfonamide CAS Name: N-(4-butylphenyl)-4-methyl-3-[oxo-[[oxo-(4-oxo-3H-phthalazin-1-yl)methyl]hydrazo]methyl]benzenesulfonamide IUPAC Name: N-(4-butylphenyl)-4-methyl-3-[[(4-oxo-3H-phthalazine-1-carbonyl)amino]carbamoyl]benzenesulfonamide Traditional Name: N-(4-butylphenyl)-3-[[(4-keto-3H-phthalazine-1-carbonyl)amino]carbamoyl]-4-methyl-benzenesulfonamide Formula: C27H27N5O5S MolecularWeight: 533.59878

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NS(=O)(=O)C2=CC(=C(C=C2)C)C(=O)NNC(=O)C3=NNC(=O)C4=CC=CC=C43

Isomeric SMILES

CCCCC1=CC=C(C=C1)NS(=O)(=O)C2=CC(=C(C=C2)C)C(=O)NNC(=O)C3=NNC(=O)C4=CC=CC=C43

InChI

InChI=1S/C27H27N5O5S/c1-3-4-7-18-11-13-19(14-12-18)32-38(36,37)20-15-10-17(2)23(16-20)26(34)30-31-27(35)24-21-8-5-6-9-22(21)25(33)29-28-24/h5-6,8-16,32H,3-4,7H2,1-2H3,(H,29,33)(H,30,34)(H,31,35)