2-methyl-5-[4-[(2-methylphenyl)amino]phthalazin-1-yl]-N-(pyridin-2-ylmethyl)benzenesulfonamide

Systemtic Name: 2-methyl-5-[4-[(2-methylphenyl)amino]phthalazin-1-yl]-N-(pyridin-2-ylmethyl)benzenesulfonamide Openeye Name: 2-methyl-5-[4-(2-methylanilino)phthalazin-1-yl]-N-(2-pyridylmethyl)benzenesulfonamide CAS Name: 2-methyl-5-[4-(2-methylanilino)-1-phthalazinyl]-N-(2-pyridinylmethyl)benzenesulfonamide IUPAC Name: 2-methyl-5-[4-(2-methylanilino)phthalazin-1-yl]-N-(pyridin-2-ylmethyl)benzenesulfonamide Traditional Name: 2-methyl-5-[4-(o-toluidino)phthalazin-1-yl]-N-(2-pyridylmethyl)benzenesulfonamide Formula: C28H25N5O2S MolecularWeight: 495.5954

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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=C4C)S(=O)(=O)NCC5=CC=CC=N5

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NN=C(C3=CC=CC=C32)NC4=CC=CC=C4C)S(=O)(=O)NCC5=CC=CC=N5

InChI

InChI=1S/C28H25N5O2S/c1-19-9-3-6-13-25(19)31-28-24-12-5-4-11-23(24)27(32-33-28)21-15-14-20(2)26(17-21)36(34,35)30-18-22-10-7-8-16-29-22/h3-17,30H,18H2,1-2H3,(H,31,33)