2-methyl-4-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]carbonyl-phthalazin-1-one

Systemtic Name: 2-methyl-4-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]carbonyl-phthalazin-1-one Openeye Name: 2-methyl-4-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazine-1-carbonyl]phthalazin-1-one CAS Name: 2-methyl-4-[oxo-[4-[3-(trifluoromethyl)phenyl]sulfonyl-1-piperazinyl]methyl]-1-phthalazinone IUPAC Name: 2-methyl-4-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazine-1-carbonyl]phthalazin-1-one Traditional Name: 2-methyl-4-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazine-1-carbonyl]phthalazin-1-one Formula: C21H19F3N4O4S MolecularWeight: 480.46017

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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=CC=CC(=C4)C(F)(F)F

Isomeric SMILES

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

InChI

InChI=1S/C21H19F3N4O4S/c1-26-19(29)17-8-3-2-7-16(17)18(25-26)20(30)27-9-11-28(12-10-27)33(31,32)15-6-4-5-14(13-15)21(22,23)24/h2-8,13H,9-12H2,1H3