4-[4-[2,5-bis(fluoranyl)phenyl]sulfonylpiperazin-1-yl]carbonyl-2-methyl-phthalazin-1-one

Systemtic Name: 4-[4-[2,5-bis(fluoranyl)phenyl]sulfonylpiperazin-1-yl]carbonyl-2-methyl-phthalazin-1-one Openeye Name: 4-[4-(2,5-difluorophenyl)sulfonylpiperazine-1-carbonyl]-2-methyl-phthalazin-1-one CAS Name: 4-[[4-(2,5-difluorophenyl)sulfonyl-1-piperazinyl]-oxomethyl]-2-methyl-1-phthalazinone IUPAC Name: 4-[4-(2,5-difluorophenyl)sulfonylpiperazine-1-carbonyl]-2-methylphthalazin-1-one Traditional Name: 4-[4-(2,5-difluorophenyl)sulfonylpiperazine-1-carbonyl]-2-methyl-phthalazin-1-one Formula: C20H18F2N4O4S MolecularWeight: 448.443126

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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