2-(3-methylphenoxy)-1-[4-[4-(trifluoromethyloxy)phenyl]sulfonylpiperazin-1-yl]ethanone

Systemtic Name: 2-(3-methylphenoxy)-1-[4-[4-(trifluoromethyloxy)phenyl]sulfonylpiperazin-1-yl]ethanone Openeye Name: 2-(3-methylphenoxy)-1-[4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]ethanone CAS Name: 2-(3-methylphenoxy)-1-[4-[4-(trifluoromethoxy)phenyl]sulfonyl-1-piperazinyl]ethanone IUPAC Name: 2-(3-methylphenoxy)-1-[4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]ethanone Traditional Name: 2-(3-methylphenoxy)-1-[4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazino]ethanone Formula: C20H21F3N2O5S MolecularWeight: 458.45135

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21F3N2O5S/c1-15-3-2-4-17(13-15)29-14-19(26)24-9-11-25(12-10-24)31(27,28)18-7-5-16(6-8-18)30-20(21,22)23/h2-8,13H,9-12,14H2,1H3