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

Systemtic Name: 5-[4-[(3-chlorophenyl)amino]phthalazin-1-yl]-2-methyl-N-(pyridin-2-ylmethyl)benzenesulfonamide Openeye Name: 5-[4-(3-chloroanilino)phthalazin-1-yl]-2-methyl-N-(2-pyridylmethyl)benzenesulfonamide CAS Name: 5-[4-(3-chloroanilino)-1-phthalazinyl]-2-methyl-N-(2-pyridinylmethyl)benzenesulfonamide IUPAC Name: 5-[4-(3-chloroanilino)phthalazin-1-yl]-2-methyl-N-(pyridin-2-ylmethyl)benzenesulfonamide Traditional Name: 5-[4-(3-chloroanilino)phthalazin-1-yl]-2-methyl-N-(2-pyridylmethyl)benzenesulfonamide Formula: C27H22ClN5O2S MolecularWeight: 516.01388

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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(=CC=C4)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(=CC=C4)Cl)S(=O)(=O)NCC5=CC=CC=N5

InChI

InChI=1S/C27H22ClN5O2S/c1-18-12-13-19(15-25(18)36(34,35)30-17-22-8-4-5-14-29-22)26-23-10-2-3-11-24(23)27(33-32-26)31-21-9-6-7-20(28)16-21/h2-16,30H,17H2,1H3,(H,31,33)