2-(3-ethylphenoxy)-1-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]ethanone

Systemtic Name: 2-(3-ethylphenoxy)-1-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]ethanone Openeye Name: 2-(3-ethylphenoxy)-1-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]ethanone CAS Name: 2-(3-ethylphenoxy)-1-[4-[3-(trifluoromethyl)phenyl]sulfonyl-1-piperazinyl]ethanone IUPAC Name: 2-(3-ethylphenoxy)-1-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]ethanone Traditional Name: 2-(3-ethylphenoxy)-1-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazino]ethanone Formula: C21H23F3N2O4S MolecularWeight: 456.47853

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC=C1)OCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)C(F)(F)F

Isomeric SMILES

CCC1=CC(=CC=C1)OCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)C(F)(F)F

InChI

InChI=1S/C21H23F3N2O4S/c1-2-16-5-3-7-18(13-16)30-15-20(27)25-9-11-26(12-10-25)31(28,29)19-8-4-6-17(14-19)21(22,23)24/h3-8,13-14H,2,9-12,15H2,1H3