5-[4-[[4-[chloranyl-bis(fluoranyl)methoxy]phenyl]amino]phthalazin-1-yl]-2-methyl-N-(2-methylbut-3-yn-2-yl)benzenesulfonamide

Systemtic Name: 5-[4-[[4-[chloranyl-bis(fluoranyl)methoxy]phenyl]amino]phthalazin-1-yl]-2-methyl-N-(2-methylbut-3-yn-2-yl)benzenesulfonamide Openeye Name: 5-[4-[4-[chloro(difluoro)methoxy]anilino]phthalazin-1-yl]-N-(1,1-dimethylprop-2-ynyl)-2-methyl-benzenesulfonamide CAS Name: 5-[4-[4-[chloro(difluoro)methoxy]anilino]-1-phthalazinyl]-2-methyl-N-(2-methylbut-3-yn-2-yl)benzenesulfonamide IUPAC Name: 5-[4-[4-[chloro(difluoro)methoxy]anilino]phthalazin-1-yl]-2-methyl-N-(2-methylbut-3-yn-2-yl)benzenesulfonamide Traditional Name: 5-[4-[4-[chloro(difluoro)methoxy]anilino]phthalazin-1-yl]-N-(1,1-dimethylprop-2-ynyl)-2-methyl-benzenesulfonamide Formula: C27H23ClF2N4O3S MolecularWeight: 557.011326

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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)OC(F)(F)Cl)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)OC(F)(F)Cl)S(=O)(=O)NC(C)(C)C#C

InChI

InChI=1S/C27H23ClF2N4O3S/c1-5-26(3,4)34-38(35,36)23-16-18(11-10-17(23)2)24-21-8-6-7-9-22(21)25(33-32-24)31-19-12-14-20(15-13-19)37-27(28,29)30/h1,6-16,34H,2-4H3,(H,31,33)