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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC2=NN=C(C3=CC=CC=C32)C4=CC(=C(C=C4)C)S(=O)(=O)NC(C)(C)C#C

Isomeric SMILES

CC1=CC(=CC=C1)NC2=NN=C(C3=CC=CC=C32)C4=CC(=C(C=C4)C)S(=O)(=O)NC(C)(C)C#C

InChI

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