1-morpholin-4-yl-2-[2-nitro-4-(trifluoromethylsulfinyl)phenyl]sulfinyl-ethanone

Systemtic Name: 1-morpholin-4-yl-2-[2-nitro-4-(trifluoromethylsulfinyl)phenyl]sulfinyl-ethanone Openeye Name: 1-morpholino-2-[2-nitro-4-(trifluoromethylsulfinyl)phenyl]sulfinyl-ethanone CAS Name: 1-(4-morpholinyl)-2-[2-nitro-4-(trifluoromethylsulfinyl)phenyl]sulfinylethanone IUPAC Name: 1-morpholin-4-yl-2-[2-nitro-4-(trifluoromethylsulfinyl)phenyl]sulfinylethanone Traditional Name: 1-morpholino-2-[2-nitro-4-(trifluoromethylsulfinyl)phenyl]sulfinyl-ethanone Formula: C13H13F3N2O6S2 MolecularWeight: 414.37733

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C(=O)CS(=O)C2=C(C=C(C=C2)S(=O)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

C1COCCN1C(=O)CS(=O)C2=C(C=C(C=C2)S(=O)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C13H13F3N2O6S2/c14-13(15,16)26(23)9-1-2-11(10(7-9)18(20)21)25(22)8-12(19)17-3-5-24-6-4-17/h1-2,7H,3-6,8H2