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

Systemtic Name: 2-(3-methoxyphenyl)-1-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]ethanone Openeye Name: 2-(3-methoxyphenyl)-1-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]ethanone CAS Name: 2-(3-methoxyphenyl)-1-[4-[3-(trifluoromethyl)phenyl]sulfonyl-1-piperazinyl]ethanone IUPAC Name: 2-(3-methoxyphenyl)-1-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]ethanone Traditional Name: 2-(3-methoxyphenyl)-1-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazino]ethanone Formula: C20H21F3N2O4S MolecularWeight: 442.45195

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)C(F)(F)F

Isomeric SMILES

COC1=CC=CC(=C1)CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)C(F)(F)F

InChI

InChI=1S/C20H21F3N2O4S/c1-29-17-6-2-4-15(12-17)13-19(26)24-8-10-25(11-9-24)30(27,28)18-7-3-5-16(14-18)20(21,22)23/h2-7,12,14H,8-11,13H2,1H3