1-[(4-tert-butylphenyl)methyl]-4-[2-(trifluoromethyloxy)phenyl]sulfonyl-piperazine

Systemtic Name: 1-[(4-tert-butylphenyl)methyl]-4-[2-(trifluoromethyloxy)phenyl]sulfonyl-piperazine Openeye Name: 1-[(4-tert-butylphenyl)methyl]-4-[2-(trifluoromethoxy)phenyl]sulfonyl-piperazine CAS Name: 1-[(4-tert-butylphenyl)methyl]-4-[2-(trifluoromethoxy)phenyl]sulfonylpiperazine IUPAC Name: 1-[(4-tert-butylphenyl)methyl]-4-[2-(trifluoromethoxy)phenyl]sulfonylpiperazine Traditional Name: 1-(4-tert-butylbenzyl)-4-[2-(trifluoromethoxy)phenyl]sulfonyl-piperazine Formula: C22H27F3N2O3S MolecularWeight: 456.52159

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CN2CCN(CC2)S(=O)(=O)C3=CC=CC=C3OC(F)(F)F

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CN2CCN(CC2)S(=O)(=O)C3=CC=CC=C3OC(F)(F)F

InChI

InChI=1S/C22H27F3N2O3S/c1-21(2,3)18-10-8-17(9-11-18)16-26-12-14-27(15-13-26)31(28,29)20-7-5-4-6-19(20)30-22(23,24)25/h4-11H,12-16H2,1-3H3