1-(1,3-benzodioxol-5-ylmethyl)-4-[3,5-bis(trifluoromethyl)phenyl]sulfonyl-piperazine

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[3,5-bis(trifluoromethyl)phenyl]sulfonyl-piperazine Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[3,5-bis(trifluoromethyl)phenyl]sulfonyl-piperazine CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[3,5-bis(trifluoromethyl)phenyl]sulfonylpiperazine IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[3,5-bis(trifluoromethyl)phenyl]sulfonylpiperazine Traditional Name: 1-[3,5-bis(trifluoromethyl)phenyl]sulfonyl-4-piperonyl-piperazine Formula: C20H18F6N2O4S MolecularWeight: 496.423339

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)S(=O)(=O)C4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)S(=O)(=O)C4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C20H18F6N2O4S/c21-19(22,23)14-8-15(20(24,25)26)10-16(9-14)33(29,30)28-5-3-27(4-6-28)11-13-1-2-17-18(7-13)32-12-31-17/h1-2,7-10H,3-6,11-12H2