2-methyl-N-(2-methylbut-3-yn-2-yl)-5-[4-[(2-methylphenyl)amino]phthalazin-1-yl]benzenesulfonamide

Systemtic Name: 2-methyl-N-(2-methylbut-3-yn-2-yl)-5-[4-[(2-methylphenyl)amino]phthalazin-1-yl]benzenesulfonamide Openeye Name: N-(1,1-dimethylprop-2-ynyl)-2-methyl-5-[4-(2-methylanilino)phthalazin-1-yl]benzenesulfonamide CAS Name: 2-methyl-5-[4-(2-methylanilino)-1-phthalazinyl]-N-(2-methylbut-3-yn-2-yl)benzenesulfonamide IUPAC Name: 2-methyl-5-[4-(2-methylanilino)phthalazin-1-yl]-N-(2-methylbut-3-yn-2-yl)benzenesulfonamide Traditional Name: N-(1,1-dimethylprop-2-ynyl)-2-methyl-5-[4-(o-toluidino)phthalazin-1-yl]benzenesulfonamide Formula: C27H26N4O2S MolecularWeight: 470.58594

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NN=C(C3=CC=CC=C32)NC4=CC=CC=C4C)S(=O)(=O)NC(C)(C)C#C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NN=C(C3=CC=CC=C32)NC4=CC=CC=C4C)S(=O)(=O)NC(C)(C)C#C

InChI

InChI=1S/C27H26N4O2S/c1-6-27(4,5)31-34(32,33)24-17-20(16-15-19(24)3)25-21-12-8-9-13-22(21)26(30-29-25)28-23-14-10-7-11-18(23)2/h1,7-17,31H,2-5H3,(H,28,30)