(3-methylsulfonylphenyl)-[4-[4-(trifluoromethyloxy)phenyl]sulfonylpiperazin-1-yl]methanone

Systemtic Name: (3-methylsulfonylphenyl)-[4-[4-(trifluoromethyloxy)phenyl]sulfonylpiperazin-1-yl]methanone Openeye Name: (3-methylsulfonylphenyl)-[4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]methanone CAS Name: (3-methylsulfonylphenyl)-[4-[4-(trifluoromethoxy)phenyl]sulfonyl-1-piperazinyl]methanone IUPAC Name: (3-methylsulfonylphenyl)-[4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]methanone Traditional Name: (3-mesylphenyl)-[4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazino]methanone Formula: C19H19F3N2O6S2 MolecularWeight: 492.48917

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC(=C1)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)OC(F)(F)F

Isomeric SMILES

CS(=O)(=O)C1=CC=CC(=C1)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)OC(F)(F)F

InChI

InChI=1S/C19H19F3N2O6S2/c1-31(26,27)17-4-2-3-14(13-17)18(25)23-9-11-24(12-10-23)32(28,29)16-7-5-15(6-8-16)30-19(20,21)22/h2-8,13H,9-12H2,1H3