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

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

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

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=CC=CC=N5

InChI

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