4-(4-methoxyphenoxy)-1-[4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]butan-1-one

Systemtic Name: 4-(4-methoxyphenoxy)-1-[4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]butan-1-one Openeye Name: 4-(4-methoxyphenoxy)-1-[4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]butan-1-one CAS Name: 4-(4-methoxyphenoxy)-1-[4-[2-(trifluoromethyl)phenyl]sulfonyl-1-piperazinyl]-1-butanone IUPAC Name: 4-(4-methoxyphenoxy)-1-[4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]butan-1-one Traditional Name: 4-(4-methoxyphenoxy)-1-[4-[2-(trifluoromethyl)phenyl]sulfonylpiperazino]butan-1-one Formula: C22H25F3N2O5S MolecularWeight: 486.50451

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)OCCCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C(F)(F)F

Isomeric SMILES

COC1=CC=C(C=C1)OCCCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C(F)(F)F

InChI

InChI=1S/C22H25F3N2O5S/c1-31-17-8-10-18(11-9-17)32-16-4-7-21(28)26-12-14-27(15-13-26)33(29,30)20-6-3-2-5-19(20)22(23,24)25/h2-3,5-6,8-11H,4,7,12-16H2,1H3