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

Systemtic Name: 5-[4-[(3,4-dichlorophenyl)amino]phthalazin-1-yl]-2-methyl-N-(pyridin-3-ylmethyl)benzenesulfonamide Openeye Name: 5-[4-(3,4-dichloroanilino)phthalazin-1-yl]-2-methyl-N-(3-pyridylmethyl)benzenesulfonamide CAS Name: 5-[4-(3,4-dichloroanilino)-1-phthalazinyl]-2-methyl-N-(3-pyridinylmethyl)benzenesulfonamide IUPAC Name: 5-[4-(3,4-dichloroanilino)phthalazin-1-yl]-2-methyl-N-(pyridin-3-ylmethyl)benzenesulfonamide Traditional Name: 5-[4-(3,4-dichloroanilino)phthalazin-1-yl]-2-methyl-N-(3-pyridylmethyl)benzenesulfonamide Formula: C27H21Cl2N5O2S MolecularWeight: 550.45894

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C27H21Cl2N5O2S/c1-17-8-9-19(13-25(17)37(35,36)31-16-18-5-4-12-30-15-18)26-21-6-2-3-7-22(21)27(34-33-26)32-20-10-11-23(28)24(29)14-20/h2-15,31H,16H2,1H3,(H,32,34)