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

Systemtic Name: 5-[4-[(3-bromophenyl)amino]phthalazin-1-yl]-N-(2-hydroxyethyl)-2-methyl-benzenesulfonamide Openeye Name: 5-[4-(3-bromoanilino)phthalazin-1-yl]-N-(2-hydroxyethyl)-2-methyl-benzenesulfonamide CAS Name: 5-[4-(3-bromoanilino)-1-phthalazinyl]-N-(2-hydroxyethyl)-2-methylbenzenesulfonamide IUPAC Name: 5-[4-(3-bromoanilino)phthalazin-1-yl]-N-(2-hydroxyethyl)-2-methylbenzenesulfonamide Traditional Name: 5-[4-(3-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(=CC=C4)Br)S(=O)(=O)NCCO

Isomeric SMILES

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

InChI

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