2-[4-[[4-[3-(tert-butylsulfamoyl)-4-methyl-phenyl]phthalazin-1-yl]amino]phenoxy]ethanamide

Systemtic Name: 2-[4-[[4-[3-(tert-butylsulfamoyl)-4-methyl-phenyl]phthalazin-1-yl]amino]phenoxy]ethanamide Openeye Name: 2-[4-[[4-[3-(tert-butylsulfamoyl)-4-methyl-phenyl]phthalazin-1-yl]amino]phenoxy]acetamide CAS Name: 2-[4-[[4-[3-(tert-butylsulfamoyl)-4-methylphenyl]-1-phthalazinyl]amino]phenoxy]acetamide IUPAC Name: 2-[4-[[4-[3-(tert-butylsulfamoyl)-4-methylphenyl]phthalazin-1-yl]amino]phenoxy]acetamide Traditional Name: 2-[4-[[4-[3-(tert-butylsulfamoyl)-4-methyl-phenyl]phthalazin-1-yl]amino]phenoxy]acetamide Formula: C27H29N5O4S MolecularWeight: 519.61526

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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)OCC(=O)N)S(=O)(=O)NC(C)(C)C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NN=C(C3=CC=CC=C32)NC4=CC=C(C=C4)OCC(=O)N)S(=O)(=O)NC(C)(C)C

InChI

InChI=1S/C27H29N5O4S/c1-17-9-10-18(15-23(17)37(34,35)32-27(2,3)4)25-21-7-5-6-8-22(21)26(31-30-25)29-19-11-13-20(14-12-19)36-16-24(28)33/h5-15,32H,16H2,1-4H3,(H2,28,33)(H,29,31)