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

Systemtic Name: 5-[4-[(3-bromophenyl)amino]phthalazin-1-yl]-N-(4-hydroxyphenyl)-2-methyl-benzenesulfonamide Openeye Name: 5-[4-(3-bromoanilino)phthalazin-1-yl]-N-(4-hydroxyphenyl)-2-methyl-benzenesulfonamide CAS Name: 5-[4-(3-bromoanilino)-1-phthalazinyl]-N-(4-hydroxyphenyl)-2-methylbenzenesulfonamide IUPAC Name: 5-[4-(3-bromoanilino)phthalazin-1-yl]-N-(4-hydroxyphenyl)-2-methylbenzenesulfonamide Traditional Name: 5-[4-(3-bromoanilino)phthalazin-1-yl]-N-(4-hydroxyphenyl)-2-methyl-benzenesulfonamide Formula: C27H21BrN4O3S MolecularWeight: 561.44964

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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)NC5=CC=C(C=C5)O

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NN=C(C3=CC=CC=C32)NC4=CC(=CC=C4)Br)S(=O)(=O)NC5=CC=C(C=C5)O

InChI

InChI=1S/C27H21BrN4O3S/c1-17-9-10-18(15-25(17)36(34,35)32-20-11-13-22(33)14-12-20)26-23-7-2-3-8-24(23)27(31-30-26)29-21-6-4-5-19(28)16-21/h2-16,32-33H,1H3,(H,29,31)