2-[4-[1,1,2,2,3,3,3-heptakis(fluoranyl)propylsulfanyl]-2-nitro-phenyl]sulfonyl-1-morpholin-4-yl-ethanone

Systemtic Name: 2-[4-[1,1,2,2,3,3,3-heptakis(fluoranyl)propylsulfanyl]-2-nitro-phenyl]sulfonyl-1-morpholin-4-yl-ethanone Openeye Name: 2-[4-(1,1,2,2,3,3,3-heptafluoropropylsulfanyl)-2-nitro-phenyl]sulfonyl-1-morpholino-ethanone CAS Name: 2-[4-(1,1,2,2,3,3,3-heptafluoropropylthio)-2-nitrophenyl]sulfonyl-1-(4-morpholinyl)ethanone IUPAC Name: 2-[4-(1,1,2,2,3,3,3-heptafluoropropylsulfanyl)-2-nitrophenyl]sulfonyl-1-morpholin-4-ylethanone Traditional Name: 2-[4-(1,1,2,2,3,3,3-heptafluoropropylthio)-2-nitro-phenyl]sulfonyl-1-morpholino-ethanone Formula: C15H13F7N2O6S2 MolecularWeight: 514.392342

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H13F7N2O6S2/c16-13(17,14(18,19)20)15(21,22)31-9-1-2-11(10(7-9)24(26)27)32(28,29)8-12(25)23-3-5-30-6-4-23/h1-2,7H,3-6,8H2