2-methyl-5-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]carbonyl-isoindole-1,3-dione

Systemtic Name: 2-methyl-5-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]carbonyl-isoindole-1,3-dione Openeye Name: 2-methyl-5-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazine-1-carbonyl]isoindoline-1,3-dione CAS Name: 2-methyl-5-[oxo-[4-[3-(trifluoromethyl)phenyl]sulfonyl-1-piperazinyl]methyl]isoindole-1,3-dione IUPAC Name: 2-methyl-5-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazine-1-carbonyl]isoindole-1,3-dione Traditional Name: 2-methyl-5-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazine-1-carbonyl]isoindoline-1,3-quinone Formula: C21H18F3N3O5S MolecularWeight: 481.44493

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC(=C4)C(F)(F)F

Isomeric SMILES

CN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC(=C4)C(F)(F)F

InChI

InChI=1S/C21H18F3N3O5S/c1-25-19(29)16-6-5-13(11-17(16)20(25)30)18(28)26-7-9-27(10-8-26)33(31,32)15-4-2-3-14(12-15)21(22,23)24/h2-6,11-12H,7-10H2,1H3