N-[1,1-bis(oxidanylidene)thiolan-3-yl]-2-[2-nitro-4-(trifluoromethylsulfinyl)phenyl]sulfonyl-ethanamide

Systemtic Name: N-[1,1-bis(oxidanylidene)thiolan-3-yl]-2-[2-nitro-4-(trifluoromethylsulfinyl)phenyl]sulfonyl-ethanamide Openeye Name: N-(1,1-dioxothiolan-3-yl)-2-[2-nitro-4-(trifluoromethylsulfinyl)phenyl]sulfonyl-acetamide CAS Name: N-(1,1-dioxo-3-thiolanyl)-2-[2-nitro-4-(trifluoromethylsulfinyl)phenyl]sulfonylacetamide IUPAC Name: N-(1,1-dioxothiolan-3-yl)-2-[2-nitro-4-(trifluoromethylsulfinyl)phenyl]sulfonylacetamide Traditional Name: N-(1,1-diketothiolan-3-yl)-2-[2-nitro-4-(trifluoromethylsulfinyl)phenyl]sulfonyl-acetamide Formula: C13H13F3N2O8S3 MolecularWeight: 478.44113

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Descriptors Computed from Structure

Canonical SMILES:

C1CS(=O)(=O)CC1NC(=O)CS(=O)(=O)C2=C(C=C(C=C2)S(=O)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

C1CS(=O)(=O)CC1NC(=O)CS(=O)(=O)C2=C(C=C(C=C2)S(=O)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C13H13F3N2O8S3/c14-13(15,16)27(22)9-1-2-11(10(5-9)18(20)21)29(25,26)7-12(19)17-8-3-4-28(23,24)6-8/h1-2,5,8H,3-4,6-7H2,(H,17,19)