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

Systemtic Name: N-(2,6-dimethoxypyrimidin-4-yl)-4-[(4-phenylphthalazin-1-yl)amino]benzenesulfonamide Openeye Name: N-(2,6-dimethoxypyrimidin-4-yl)-4-[(4-phenylphthalazin-1-yl)amino]benzenesulfonamide CAS Name: N-(2,6-dimethoxy-4-pyrimidinyl)-4-[(4-phenyl-1-phthalazinyl)amino]benzenesulfonamide IUPAC Name: N-(2,6-dimethoxypyrimidin-4-yl)-4-[(4-phenylphthalazin-1-yl)amino]benzenesulfonamide Traditional Name: N-(2,6-dimethoxypyrimidin-4-yl)-4-[(4-phenylphthalazin-1-yl)amino]benzenesulfonamide Formula: C26H22N6O4S MolecularWeight: 514.55568

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NC(=NC(=C1)NS(=O)(=O)C2=CC=C(C=C2)NC3=NN=C(C4=CC=CC=C43)C5=CC=CC=C5)OC

Isomeric SMILES

COC1=NC(=NC(=C1)NS(=O)(=O)C2=CC=C(C=C2)NC3=NN=C(C4=CC=CC=C43)C5=CC=CC=C5)OC

InChI

InChI=1S/C26H22N6O4S/c1-35-23-16-22(28-26(29-23)36-2)32-37(33,34)19-14-12-18(13-15-19)27-25-21-11-7-6-10-20(21)24(30-31-25)17-8-4-3-5-9-17/h3-16H,1-2H3,(H,27,31)(H,28,29,32)