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

Systemtic Name: 5-[4-[(4-bromophenyl)amino]phthalazin-1-yl]-2-methyl-N-(2-methylbut-3-yn-2-yl)benzenesulfonamide Openeye Name: 5-[4-(4-bromoanilino)phthalazin-1-yl]-N-(1,1-dimethylprop-2-ynyl)-2-methyl-benzenesulfonamide CAS Name: 5-[4-(4-bromoanilino)-1-phthalazinyl]-2-methyl-N-(2-methylbut-3-yn-2-yl)benzenesulfonamide IUPAC Name: 5-[4-(4-bromoanilino)phthalazin-1-yl]-2-methyl-N-(2-methylbut-3-yn-2-yl)benzenesulfonamide Traditional Name: 5-[4-(4-bromoanilino)phthalazin-1-yl]-N-(1,1-dimethylprop-2-ynyl)-2-methyl-benzenesulfonamide Formula: C26H23BrN4O2S MolecularWeight: 535.45542

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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=C(C=C4)Br)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=C(C=C4)Br)S(=O)(=O)NC(C)(C)C#C

InChI

InChI=1S/C26H23BrN4O2S/c1-5-26(3,4)31-34(32,33)23-16-18(11-10-17(23)2)24-21-8-6-7-9-22(21)25(30-29-24)28-20-14-12-19(27)13-15-20/h1,6-16,31H,2-4H3,(H,28,30)