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

Systemtic Name: 5-[4-[(4-methoxyphenyl)amino]phthalazin-1-yl]-2-methyl-N-(pyridin-3-ylmethyl)benzenesulfonamide Openeye Name: 5-[4-(4-methoxyanilino)phthalazin-1-yl]-2-methyl-N-(3-pyridylmethyl)benzenesulfonamide CAS Name: 5-[4-(4-methoxyanilino)-1-phthalazinyl]-2-methyl-N-(3-pyridinylmethyl)benzenesulfonamide IUPAC Name: 5-[4-(4-methoxyanilino)phthalazin-1-yl]-2-methyl-N-(pyridin-3-ylmethyl)benzenesulfonamide Traditional Name: 2-methyl-5-[4-(p-anisidino)phthalazin-1-yl]-N-(3-pyridylmethyl)benzenesulfonamide Formula: C28H25N5O3S MolecularWeight: 511.5948

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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=C(C=C4)OC)S(=O)(=O)NCC5=CN=CC=C5

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NN=C(C3=CC=CC=C32)NC4=CC=C(C=C4)OC)S(=O)(=O)NCC5=CN=CC=C5

InChI

InChI=1S/C28H25N5O3S/c1-19-9-10-21(16-26(19)37(34,35)30-18-20-6-5-15-29-17-20)27-24-7-3-4-8-25(24)28(33-32-27)31-22-11-13-23(36-2)14-12-22/h3-17,30H,18H2,1-2H3,(H,31,33)