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

Systemtic Name: N-(2,6-dimethoxypyrimidin-4-yl)-4-[[4-(4-methylphenyl)phthalazin-1-yl]amino]benzenesulfonamide Openeye Name: N-(2,6-dimethoxypyrimidin-4-yl)-4-[[4-(p-tolyl)phthalazin-1-yl]amino]benzenesulfonamide CAS Name: N-(2,6-dimethoxy-4-pyrimidinyl)-4-[[4-(4-methylphenyl)-1-phthalazinyl]amino]benzenesulfonamide IUPAC Name: N-(2,6-dimethoxypyrimidin-4-yl)-4-[[4-(4-methylphenyl)phthalazin-1-yl]amino]benzenesulfonamide Traditional Name: N-(2,6-dimethoxypyrimidin-4-yl)-4-[[4-(p-tolyl)phthalazin-1-yl]amino]benzenesulfonamide Formula: C27H24N6O4S MolecularWeight: 528.58226

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=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

CC1=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/C27H24N6O4S/c1-17-8-10-18(11-9-17)25-21-6-4-5-7-22(21)26(32-31-25)28-19-12-14-20(15-13-19)38(34,35)33-23-16-24(36-2)30-27(29-23)37-3/h4-16H,1-3H3,(H,28,32)(H,29,30,33)