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

Systemtic Name: 4-(4-methylphenoxy)-1-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]butan-1-one Openeye Name: 4-(4-methylphenoxy)-1-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]butan-1-one CAS Name: 4-(4-methylphenoxy)-1-[4-[3-(trifluoromethyl)phenyl]sulfonyl-1-piperazinyl]-1-butanone IUPAC Name: 4-(4-methylphenoxy)-1-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]butan-1-one Traditional Name: 4-(4-methylphenoxy)-1-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazino]butan-1-one Formula: C22H25F3N2O4S MolecularWeight: 470.50511

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25F3N2O4S/c1-17-7-9-19(10-8-17)31-15-3-6-21(28)26-11-13-27(14-12-26)32(29,30)20-5-2-4-18(16-20)22(23,24)25/h2,4-5,7-10,16H,3,6,11-15H2,1H3