2-(4-bromanyl-2-fluoranyl-phenoxy)-1-[4-(phenylmethyl)sulfonylpiperazin-1-yl]ethanone

Systemtic Name: 2-(4-bromanyl-2-fluoranyl-phenoxy)-1-[4-(phenylmethyl)sulfonylpiperazin-1-yl]ethanone Openeye Name: 1-(4-benzylsulfonylpiperazin-1-yl)-2-(4-bromo-2-fluoro-phenoxy)ethanone CAS Name: 2-(4-bromo-2-fluorophenoxy)-1-[4-(phenylmethyl)sulfonyl-1-piperazinyl]ethanone IUPAC Name: 1-(4-benzylsulfonylpiperazin-1-yl)-2-(4-bromo-2-fluorophenoxy)ethanone Traditional Name: 1-(4-benzylsulfonylpiperazino)-2-(4-bromo-2-fluoro-phenoxy)ethanone Formula: C19H20BrFN2O4S MolecularWeight: 471.340503

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)COC2=C(C=C(C=C2)Br)F)S(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

C1CN(CCN1C(=O)COC2=C(C=C(C=C2)Br)F)S(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C19H20BrFN2O4S/c20-16-6-7-18(17(21)12-16)27-13-19(24)22-8-10-23(11-9-22)28(25,26)14-15-4-2-1-3-5-15/h1-7,12H,8-11,13-14H2