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

Systemtic Name: 4-phenylsulfanyl-1-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]butan-1-one Openeye Name: 4-phenylsulfanyl-1-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]butan-1-one CAS Name: 4-(phenylthio)-1-[4-[3-(trifluoromethyl)phenyl]sulfonyl-1-piperazinyl]-1-butanone IUPAC Name: 4-phenylsulfanyl-1-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]butan-1-one Traditional Name: 4-(phenylthio)-1-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazino]butan-1-one Formula: C21H23F3N2O3S2 MolecularWeight: 472.54413

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CCCSC2=CC=CC=C2)S(=O)(=O)C3=CC=CC(=C3)C(F)(F)F

Isomeric SMILES

C1CN(CCN1C(=O)CCCSC2=CC=CC=C2)S(=O)(=O)C3=CC=CC(=C3)C(F)(F)F

InChI

InChI=1S/C21H23F3N2O3S2/c22-21(23,24)17-6-4-9-19(16-17)31(28,29)26-13-11-25(12-14-26)20(27)10-5-15-30-18-7-2-1-3-8-18/h1-4,6-9,16H,5,10-15H2