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

Systemtic Name: 5-[4-[(2,4-dimethylphenyl)amino]phthalazin-1-yl]-N-(2-hydroxyethyl)-2-methyl-benzenesulfonamide Openeye Name: 5-[4-(2,4-dimethylanilino)phthalazin-1-yl]-N-(2-hydroxyethyl)-2-methyl-benzenesulfonamide CAS Name: 5-[4-(2,4-dimethylanilino)-1-phthalazinyl]-N-(2-hydroxyethyl)-2-methylbenzenesulfonamide IUPAC Name: 5-[4-(2,4-dimethylanilino)phthalazin-1-yl]-N-(2-hydroxyethyl)-2-methylbenzenesulfonamide Traditional Name: 5-[4-(2,4-dimethylanilino)phthalazin-1-yl]-N-(2-hydroxyethyl)-2-methyl-benzenesulfonamide Formula: C25H26N4O3S MolecularWeight: 462.56394

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC2=NN=C(C3=CC=CC=C32)C4=CC(=C(C=C4)C)S(=O)(=O)NCCO)C

Isomeric SMILES

CC1=CC(=C(C=C1)NC2=NN=C(C3=CC=CC=C32)C4=CC(=C(C=C4)C)S(=O)(=O)NCCO)C

InChI

InChI=1S/C25H26N4O3S/c1-16-8-11-22(18(3)14-16)27-25-21-7-5-4-6-20(21)24(28-29-25)19-10-9-17(2)23(15-19)33(31,32)26-12-13-30/h4-11,14-15,26,30H,12-13H2,1-3H3,(H,27,29)