2-methyl-5-[4-[(3-methylphenyl)amino]phthalazin-1-yl]benzenesulfonamide

Systemtic Name: 2-methyl-5-[4-[(3-methylphenyl)amino]phthalazin-1-yl]benzenesulfonamide Openeye Name: 2-methyl-5-[4-(3-methylanilino)phthalazin-1-yl]benzenesulfonamide CAS Name: 2-methyl-5-[4-(3-methylanilino)-1-phthalazinyl]benzenesulfonamide IUPAC Name: 2-methyl-5-[4-(3-methylanilino)phthalazin-1-yl]benzenesulfonamide Traditional Name: 2-methyl-5-[4-(m-toluidino)phthalazin-1-yl]benzenesulfonamide Formula: C22H20N4O2S MolecularWeight: 404.4848

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H20N4O2S/c1-14-6-5-7-17(12-14)24-22-19-9-4-3-8-18(19)21(25-26-22)16-11-10-15(2)20(13-16)29(23,27)28/h3-13H,1-2H3,(H,24,26)(H2,23,27,28)