1-[4-bromanyl-2-(trifluoromethyloxy)phenyl]sulfonyl-4-(phenylmethyl)piperazine

Systemtic Name: 1-[4-bromanyl-2-(trifluoromethyloxy)phenyl]sulfonyl-4-(phenylmethyl)piperazine Openeye Name: 1-benzyl-4-[4-bromo-2-(trifluoromethoxy)phenyl]sulfonyl-piperazine CAS Name: 1-[4-bromo-2-(trifluoromethoxy)phenyl]sulfonyl-4-(phenylmethyl)piperazine IUPAC Name: 1-benzyl-4-[4-bromo-2-(trifluoromethoxy)phenyl]sulfonylpiperazine Traditional Name: 1-benzyl-4-[4-bromo-2-(trifluoromethoxy)phenyl]sulfonyl-piperazine Formula: C18H18BrF3N2O3S MolecularWeight: 479.31133

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)S(=O)(=O)C3=C(C=C(C=C3)Br)OC(F)(F)F

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)S(=O)(=O)C3=C(C=C(C=C3)Br)OC(F)(F)F

InChI

InChI=1S/C18H18BrF3N2O3S/c19-15-6-7-17(16(12-15)27-18(20,21)22)28(25,26)24-10-8-23(9-11-24)13-14-4-2-1-3-5-14/h1-7,12H,8-11,13H2