N-(2,6-dimethoxypyrimidin-4-yl)-4-[[4-(4-methoxyphenyl)phthalazin-1-yl]amino]benzenesulfonamide

Systemtic Name: N-(2,6-dimethoxypyrimidin-4-yl)-4-[[4-(4-methoxyphenyl)phthalazin-1-yl]amino]benzenesulfonamide Openeye Name: N-(2,6-dimethoxypyrimidin-4-yl)-4-[[4-(4-methoxyphenyl)phthalazin-1-yl]amino]benzenesulfonamide CAS Name: N-(2,6-dimethoxy-4-pyrimidinyl)-4-[[4-(4-methoxyphenyl)-1-phthalazinyl]amino]benzenesulfonamide IUPAC Name: N-(2,6-dimethoxypyrimidin-4-yl)-4-[[4-(4-methoxyphenyl)phthalazin-1-yl]amino]benzenesulfonamide Traditional Name: N-(2,6-dimethoxypyrimidin-4-yl)-4-[[4-(4-methoxyphenyl)phthalazin-1-yl]amino]benzenesulfonamide Formula: C27H24N6O5S MolecularWeight: 544.58166

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NN=C(C3=CC=CC=C32)NC4=CC=C(C=C4)S(=O)(=O)NC5=CC(=NC(=N5)OC)OC

Isomeric SMILES

COC1=CC=C(C=C1)C2=NN=C(C3=CC=CC=C32)NC4=CC=C(C=C4)S(=O)(=O)NC5=CC(=NC(=N5)OC)OC

InChI

InChI=1S/C27H24N6O5S/c1-36-19-12-8-17(9-13-19)25-21-6-4-5-7-22(21)26(32-31-25)28-18-10-14-20(15-11-18)39(34,35)33-23-16-24(37-2)30-27(29-23)38-3/h4-16H,1-3H3,(H,28,32)(H,29,30,33)