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

Systemtic Name: 2-[4-[[4-[3-(tert-butylsulfamoyl)-4-methyl-phenyl]phthalazin-1-yl]amino]phenoxy]-N-methyl-ethanamide Openeye Name: 2-[4-[[4-[3-(tert-butylsulfamoyl)-4-methyl-phenyl]phthalazin-1-yl]amino]phenoxy]-N-methyl-acetamide CAS Name: 2-[4-[[4-[3-(tert-butylsulfamoyl)-4-methylphenyl]-1-phthalazinyl]amino]phenoxy]-N-methylacetamide IUPAC Name: 2-[4-[[4-[3-(tert-butylsulfamoyl)-4-methylphenyl]phthalazin-1-yl]amino]phenoxy]-N-methylacetamide Traditional Name: 2-[4-[[4-[3-(tert-butylsulfamoyl)-4-methyl-phenyl]phthalazin-1-yl]amino]phenoxy]-N-methyl-acetamide Formula: C28H31N5O4S MolecularWeight: 533.64184

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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)NC)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)NC)S(=O)(=O)NC(C)(C)C

InChI

InChI=1S/C28H31N5O4S/c1-18-10-11-19(16-24(18)38(35,36)33-28(2,3)4)26-22-8-6-7-9-23(22)27(32-31-26)30-20-12-14-21(15-13-20)37-17-25(34)29-5/h6-16,33H,17H2,1-5H3,(H,29,34)(H,30,32)