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

Systemtic Name: 5-[4-[(3-bromophenyl)amino]phthalazin-1-yl]-2-methyl-N-(2-methyl-1-oxidanyl-propan-2-yl)benzenesulfonamide Openeye Name: 5-[4-(3-bromoanilino)phthalazin-1-yl]-N-(2-hydroxy-1,1-dimethyl-ethyl)-2-methyl-benzenesulfonamide CAS Name: 5-[4-(3-bromoanilino)-1-phthalazinyl]-N-(1-hydroxy-2-methylpropan-2-yl)-2-methylbenzenesulfonamide IUPAC Name: 5-[4-(3-bromoanilino)phthalazin-1-yl]-N-(1-hydroxy-2-methylpropan-2-yl)-2-methylbenzenesulfonamide Traditional Name: 5-[4-(3-bromoanilino)phthalazin-1-yl]-N-(2-hydroxy-1,1-dimethyl-ethyl)-2-methyl-benzenesulfonamide Formula: C25H25BrN4O3S MolecularWeight: 541.46

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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(=CC=C4)Br)S(=O)(=O)NC(C)(C)CO

Isomeric SMILES

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

InChI

InChI=1S/C25H25BrN4O3S/c1-16-11-12-17(13-22(16)34(32,33)30-25(2,3)15-31)23-20-9-4-5-10-21(20)24(29-28-23)27-19-8-6-7-18(26)14-19/h4-14,30-31H,15H2,1-3H3,(H,27,29)