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

Systemtic Name: 2-methyl-4-[4-[4-(trifluoromethyloxy)phenyl]sulfonylpiperazin-1-yl]carbonyl-phthalazin-1-one Openeye Name: 2-methyl-4-[4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazine-1-carbonyl]phthalazin-1-one CAS Name: 2-methyl-4-[oxo-[4-[4-(trifluoromethoxy)phenyl]sulfonyl-1-piperazinyl]methyl]-1-phthalazinone IUPAC Name: 2-methyl-4-[4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazine-1-carbonyl]phthalazin-1-one Traditional Name: 2-methyl-4-[4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazine-1-carbonyl]phthalazin-1-one Formula: C21H19F3N4O5S MolecularWeight: 496.45957

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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=C(C=C4)OC(F)(F)F

Isomeric SMILES

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

InChI

InChI=1S/C21H19F3N4O5S/c1-26-19(29)17-5-3-2-4-16(17)18(25-26)20(30)27-10-12-28(13-11-27)34(31,32)15-8-6-14(7-9-15)33-21(22,23)24/h2-9H,10-13H2,1H3