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

Systemtic Name: 5-[4-[(2,4-dimethylphenyl)amino]phthalazin-1-yl]-2-methyl-N-(pyridin-3-ylmethyl)benzenesulfonamide Openeye Name: 5-[4-(2,4-dimethylanilino)phthalazin-1-yl]-2-methyl-N-(3-pyridylmethyl)benzenesulfonamide CAS Name: 5-[4-(2,4-dimethylanilino)-1-phthalazinyl]-2-methyl-N-(3-pyridinylmethyl)benzenesulfonamide IUPAC Name: 5-[4-(2,4-dimethylanilino)phthalazin-1-yl]-2-methyl-N-(pyridin-3-ylmethyl)benzenesulfonamide Traditional Name: 5-[4-(2,4-dimethylanilino)phthalazin-1-yl]-2-methyl-N-(3-pyridylmethyl)benzenesulfonamide Formula: C29H27N5O2S MolecularWeight: 509.62198

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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)C

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)C

InChI

InChI=1S/C29H27N5O2S/c1-19-10-13-26(21(3)15-19)32-29-25-9-5-4-8-24(25)28(33-34-29)23-12-11-20(2)27(16-23)37(35,36)31-18-22-7-6-14-30-17-22/h4-17,31H,18H2,1-3H3,(H,32,34)