N-(4-bromanyl-3-methyl-phenyl)-2-methyl-5-(4-oxidanylidene-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)benzenesulfonamide

Systemtic Name: N-(4-bromanyl-3-methyl-phenyl)-2-methyl-5-(4-oxidanylidene-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)benzenesulfonamide Openeye Name: N-(4-bromo-3-methyl-phenyl)-2-methyl-5-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)benzenesulfonamide CAS Name: N-(4-bromo-3-methylphenyl)-2-methyl-5-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)benzenesulfonamide IUPAC Name: N-(4-bromo-3-methylphenyl)-2-methyl-5-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)benzenesulfonamide Traditional Name: N-(4-bromo-3-methyl-phenyl)-5-(4-keto-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)-2-methyl-benzenesulfonamide Formula: C22H22BrN3O3S MolecularWeight: 488.39738

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NNC(=O)C3=C2CCCC3)S(=O)(=O)NC4=CC(=C(C=C4)Br)C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NNC(=O)C3=C2CCCC3)S(=O)(=O)NC4=CC(=C(C=C4)Br)C

InChI

InChI=1S/C22H22BrN3O3S/c1-13-7-8-15(21-17-5-3-4-6-18(17)22(27)25-24-21)12-20(13)30(28,29)26-16-9-10-19(23)14(2)11-16/h7-12,26H,3-6H2,1-2H3,(H,25,27)