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

Systemtic Name: 2-methyl-5-[4-[(4-methylphenyl)amino]phthalazin-1-yl]-N-(pyridin-3-ylmethyl)benzenesulfonamide Openeye Name: 2-methyl-5-[4-(4-methylanilino)phthalazin-1-yl]-N-(3-pyridylmethyl)benzenesulfonamide CAS Name: 2-methyl-5-[4-(4-methylanilino)-1-phthalazinyl]-N-(3-pyridinylmethyl)benzenesulfonamide IUPAC Name: 2-methyl-5-[4-(4-methylanilino)phthalazin-1-yl]-N-(pyridin-3-ylmethyl)benzenesulfonamide Traditional Name: 2-methyl-5-[4-(p-toluidino)phthalazin-1-yl]-N-(3-pyridylmethyl)benzenesulfonamide Formula: C28H25N5O2S MolecularWeight: 495.5954

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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)NCC5=CN=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)NC2=NN=C(C3=CC=CC=C32)C4=CC(=C(C=C4)C)S(=O)(=O)NCC5=CN=CC=C5

InChI

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