2-tert-butylsulfanyl-1-[4-[4-chloranyl-3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]ethanone

Systemtic Name: 2-tert-butylsulfanyl-1-[4-[4-chloranyl-3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]ethanone Openeye Name: 2-tert-butylsulfanyl-1-[4-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]ethanone CAS Name: 2-(tert-butylthio)-1-[4-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-1-piperazinyl]ethanone IUPAC Name: 2-tert-butylsulfanyl-1-[4-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]ethanone Traditional Name: 2-(tert-butylthio)-1-[4-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpiperazino]ethanone Formula: C17H22ClF3N2O3S2 MolecularWeight: 458.94639

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)SCC(=O)N1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Cl)C(F)(F)F

Isomeric SMILES

CC(C)(C)SCC(=O)N1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Cl)C(F)(F)F

InChI

InChI=1S/C17H22ClF3N2O3S2/c1-16(2,3)27-11-15(24)22-6-8-23(9-7-22)28(25,26)12-4-5-14(18)13(10-12)17(19,20)21/h4-5,10H,6-9,11H2,1-3H3