N-(2-chlorophenyl)-4-[[[4-oxidanylidene-3-(phenylmethyl)phthalazin-1-yl]carbonylamino]carbamoyl]benzenesulfonamide

Systemtic Name: N-(2-chlorophenyl)-4-[[[4-oxidanylidene-3-(phenylmethyl)phthalazin-1-yl]carbonylamino]carbamoyl]benzenesulfonamide Openeye Name: 4-[[(3-benzyl-4-oxo-phthalazine-1-carbonyl)amino]carbamoyl]-N-(2-chlorophenyl)benzenesulfonamide CAS Name: N-(2-chlorophenyl)-4-[oxo-[[oxo-[4-oxo-3-(phenylmethyl)-1-phthalazinyl]methyl]hydrazo]methyl]benzenesulfonamide IUPAC Name: 4-[[(3-benzyl-4-oxophthalazine-1-carbonyl)amino]carbamoyl]-N-(2-chlorophenyl)benzenesulfonamide Traditional Name: 4-[[(3-benzyl-4-keto-phthalazine-1-carbonyl)amino]carbamoyl]-N-(2-chlorophenyl)benzenesulfonamide Formula: C29H22ClN5O5S MolecularWeight: 588.03348

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)NNC(=O)C4=CC=C(C=C4)S(=O)(=O)NC5=CC=CC=C5Cl

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)NNC(=O)C4=CC=C(C=C4)S(=O)(=O)NC5=CC=CC=C5Cl

InChI

InChI=1S/C29H22ClN5O5S/c30-24-12-6-7-13-25(24)34-41(39,40)21-16-14-20(15-17-21)27(36)31-32-28(37)26-22-10-4-5-11-23(22)29(38)35(33-26)18-19-8-2-1-3-9-19/h1-17,34H,18H2,(H,31,36)(H,32,37)