2-(2-methoxy-4-methyl-phenoxy)-1-[4-[4-(trifluoromethyloxy)phenyl]sulfonylpiperazin-1-yl]ethanone

Systemtic Name: 2-(2-methoxy-4-methyl-phenoxy)-1-[4-[4-(trifluoromethyloxy)phenyl]sulfonylpiperazin-1-yl]ethanone Openeye Name: 2-(2-methoxy-4-methyl-phenoxy)-1-[4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]ethanone CAS Name: 2-(2-methoxy-4-methylphenoxy)-1-[4-[4-(trifluoromethoxy)phenyl]sulfonyl-1-piperazinyl]ethanone IUPAC Name: 2-(2-methoxy-4-methylphenoxy)-1-[4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]ethanone Traditional Name: 2-(2-methoxy-4-methyl-phenoxy)-1-[4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazino]ethanone Formula: C21H23F3N2O6S MolecularWeight: 488.47733

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)OC(F)(F)F)OC

Isomeric SMILES

CC1=CC(=C(C=C1)OCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)OC(F)(F)F)OC

InChI

InChI=1S/C21H23F3N2O6S/c1-15-3-8-18(19(13-15)30-2)31-14-20(27)25-9-11-26(12-10-25)33(28,29)17-6-4-16(5-7-17)32-21(22,23)24/h3-8,13H,9-12,14H2,1-2H3