1-morpholin-4-yl-2-[2-nitro-4-(trifluoromethylsulfanyl)phenyl]sulfonyl-ethanone

Systemtic Name: 1-morpholin-4-yl-2-[2-nitro-4-(trifluoromethylsulfanyl)phenyl]sulfonyl-ethanone Openeye Name: 1-morpholino-2-[2-nitro-4-(trifluoromethylsulfanyl)phenyl]sulfonyl-ethanone CAS Name: 1-(4-morpholinyl)-2-[2-nitro-4-(trifluoromethylthio)phenyl]sulfonylethanone IUPAC Name: 1-morpholin-4-yl-2-[2-nitro-4-(trifluoromethylsulfanyl)phenyl]sulfonylethanone Traditional Name: 1-morpholino-2-[2-nitro-4-(trifluoromethylthio)phenyl]sulfonyl-ethanone Formula: C13H13F3N2O6S2 MolecularWeight: 414.37733

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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