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

Systemtic Name: 5-[4-[(4-bromophenyl)amino]phthalazin-1-yl]-N-(2-hydroxyethyl)-2-methyl-benzenesulfonamide Openeye Name: 5-[4-(4-bromoanilino)phthalazin-1-yl]-N-(2-hydroxyethyl)-2-methyl-benzenesulfonamide CAS Name: 5-[4-(4-bromoanilino)-1-phthalazinyl]-N-(2-hydroxyethyl)-2-methylbenzenesulfonamide IUPAC Name: 5-[4-(4-bromoanilino)phthalazin-1-yl]-N-(2-hydroxyethyl)-2-methylbenzenesulfonamide Traditional Name: 5-[4-(4-bromoanilino)phthalazin-1-yl]-N-(2-hydroxyethyl)-2-methyl-benzenesulfonamide Formula: C23H21BrN4O3S MolecularWeight: 513.40684

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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)Br)S(=O)(=O)NCCO

Isomeric SMILES

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

InChI

InChI=1S/C23H21BrN4O3S/c1-15-6-7-16(14-21(15)32(30,31)25-12-13-29)22-19-4-2-3-5-20(19)23(28-27-22)26-18-10-8-17(24)9-11-18/h2-11,14,25,29H,12-13H2,1H3,(H,26,28)