N-(4-methylphenyl)-3-[[[4-oxidanylidene-3-(phenylmethyl)phthalazin-1-yl]carbonylamino]carbamoyl]benzenesulfonamide

Systemtic Name: N-(4-methylphenyl)-3-[[[4-oxidanylidene-3-(phenylmethyl)phthalazin-1-yl]carbonylamino]carbamoyl]benzenesulfonamide Openeye Name: 3-[[(3-benzyl-4-oxo-phthalazine-1-carbonyl)amino]carbamoyl]-N-(p-tolyl)benzenesulfonamide CAS Name: N-(4-methylphenyl)-3-[oxo-[[oxo-[4-oxo-3-(phenylmethyl)-1-phthalazinyl]methyl]hydrazo]methyl]benzenesulfonamide IUPAC Name: 3-[[(3-benzyl-4-oxophthalazine-1-carbonyl)amino]carbamoyl]-N-(4-methylphenyl)benzenesulfonamide Traditional Name: 3-[[(3-benzyl-4-keto-phthalazine-1-carbonyl)amino]carbamoyl]-N-(p-tolyl)benzenesulfonamide Formula: C30H25N5O5S MolecularWeight: 567.615

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NS(=O)(=O)C2=CC=CC(=C2)C(=O)NNC(=O)C3=NN(C(=O)C4=CC=CC=C43)CC5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)NS(=O)(=O)C2=CC=CC(=C2)C(=O)NNC(=O)C3=NN(C(=O)C4=CC=CC=C43)CC5=CC=CC=C5

InChI

InChI=1S/C30H25N5O5S/c1-20-14-16-23(17-15-20)34-41(39,40)24-11-7-10-22(18-24)28(36)31-32-29(37)27-25-12-5-6-13-26(25)30(38)35(33-27)19-21-8-3-2-4-9-21/h2-18,34H,19H2,1H3,(H,31,36)(H,32,37)