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

Systemtic Name: 1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-[3-(trifluoromethyl)phenyl]ethanone Openeye Name: 1-[4-(p-tolylsulfonyl)piperazin-1-yl]-2-[3-(trifluoromethyl)phenyl]ethanone CAS Name: 1-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]-2-[3-(trifluoromethyl)phenyl]ethanone IUPAC Name: 1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-[3-(trifluoromethyl)phenyl]ethanone Traditional Name: 1-(4-tosylpiperazino)-2-[3-(trifluoromethyl)phenyl]ethanone Formula: C20H21F3N2O3S MolecularWeight: 426.45255

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CC3=CC(=CC=C3)C(F)(F)F

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CC3=CC(=CC=C3)C(F)(F)F

InChI

InChI=1S/C20H21F3N2O3S/c1-15-5-7-18(8-6-15)29(27,28)25-11-9-24(10-12-25)19(26)14-16-3-2-4-17(13-16)20(21,22)23/h2-8,13H,9-12,14H2,1H3