4-[4-[2,6-bis(fluoranyl)phenyl]sulfonylpiperazin-1-yl]carbonyl-2-methyl-phthalazin-1-one

Systemtic Name: 4-[4-[2,6-bis(fluoranyl)phenyl]sulfonylpiperazin-1-yl]carbonyl-2-methyl-phthalazin-1-one Openeye Name: 4-[4-(2,6-difluorophenyl)sulfonylpiperazine-1-carbonyl]-2-methyl-phthalazin-1-one CAS Name: 4-[[4-(2,6-difluorophenyl)sulfonyl-1-piperazinyl]-oxomethyl]-2-methyl-1-phthalazinone IUPAC Name: 4-[4-(2,6-difluorophenyl)sulfonylpiperazine-1-carbonyl]-2-methylphthalazin-1-one Traditional Name: 4-[4-(2,6-difluorophenyl)sulfonylpiperazine-1-carbonyl]-2-methyl-phthalazin-1-one Formula: C20H18F2N4O4S MolecularWeight: 448.443126

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N3CCN(CC3)S(=O)(=O)C4=C(C=CC=C4F)F

Isomeric SMILES

CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N3CCN(CC3)S(=O)(=O)C4=C(C=CC=C4F)F

InChI

InChI=1S/C20H18F2N4O4S/c1-24-19(27)14-6-3-2-5-13(14)17(23-24)20(28)25-9-11-26(12-10-25)31(29,30)18-15(21)7-4-8-16(18)22/h2-8H,9-12H2,1H3