1-[3,5-bis(trifluoromethyl)phenyl]sulfonyl-4-(2-methylphenyl)piperazine

Systemtic Name: 1-[3,5-bis(trifluoromethyl)phenyl]sulfonyl-4-(2-methylphenyl)piperazine Openeye Name: 1-[3,5-bis(trifluoromethyl)phenyl]sulfonyl-4-(o-tolyl)piperazine CAS Name: 1-[3,5-bis(trifluoromethyl)phenyl]sulfonyl-4-(2-methylphenyl)piperazine IUPAC Name: 1-[3,5-bis(trifluoromethyl)phenyl]sulfonyl-4-(2-methylphenyl)piperazine Traditional Name: 1-[3,5-bis(trifluoromethyl)phenyl]sulfonyl-4-(o-tolyl)piperazine Formula: C19H18F6N2O2S MolecularWeight: 452.413839

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2CCN(CC2)S(=O)(=O)C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F

Isomeric SMILES

CC1=CC=CC=C1N2CCN(CC2)S(=O)(=O)C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C19H18F6N2O2S/c1-13-4-2-3-5-17(13)26-6-8-27(9-7-26)30(28,29)16-11-14(18(20,21)22)10-15(12-16)19(23,24)25/h2-5,10-12H,6-9H2,1H3