2-(4-methylphenoxy)-1-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]propan-1-one

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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