2-(4-nitrophenyl)-1-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]ethanone

Systemtic Name: 2-(4-nitrophenyl)-1-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]ethanone Openeye Name: 2-(4-nitrophenyl)-1-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]ethanone CAS Name: 2-(4-nitrophenyl)-1-[4-[3-(trifluoromethyl)phenyl]sulfonyl-1-piperazinyl]ethanone IUPAC Name: 2-(4-nitrophenyl)-1-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]ethanone Traditional Name: 2-(4-nitrophenyl)-1-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazino]ethanone Formula: C19H18F3N3O5S MolecularWeight: 457.42353

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CC2=CC=C(C=C2)[N+](=O)[O-])S(=O)(=O)C3=CC=CC(=C3)C(F)(F)F

Isomeric SMILES

C1CN(CCN1C(=O)CC2=CC=C(C=C2)[N+](=O)[O-])S(=O)(=O)C3=CC=CC(=C3)C(F)(F)F

InChI

InChI=1S/C19H18F3N3O5S/c20-19(21,22)15-2-1-3-17(13-15)31(29,30)24-10-8-23(9-11-24)18(26)12-14-4-6-16(7-5-14)25(27)28/h1-7,13H,8-12H2