N-(3-ethanoylphenyl)-2-[2-nitro-4-(trifluoromethylsulfonyl)phenyl]sulfanyl-ethanamide

Systemtic Name: N-(3-ethanoylphenyl)-2-[2-nitro-4-(trifluoromethylsulfonyl)phenyl]sulfanyl-ethanamide Openeye Name: N-(3-acetylphenyl)-2-[2-nitro-4-(trifluoromethylsulfonyl)phenyl]sulfanyl-acetamide CAS Name: N-(3-acetylphenyl)-2-[[2-nitro-4-(trifluoromethylsulfonyl)phenyl]thio]acetamide IUPAC Name: N-(3-acetylphenyl)-2-[2-nitro-4-(trifluoromethylsulfonyl)phenyl]sulfanylacetamide Traditional Name: N-(3-acetylphenyl)-2-[(2-nitro-4-triflyl-phenyl)thio]acetamide Formula: C17H13F3N2O6S2 MolecularWeight: 462.42013

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC=C1)NC(=O)CSC2=C(C=C(C=C2)S(=O)(=O)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CC(=O)C1=CC(=CC=C1)NC(=O)CSC2=C(C=C(C=C2)S(=O)(=O)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C17H13F3N2O6S2/c1-10(23)11-3-2-4-12(7-11)21-16(24)9-29-15-6-5-13(8-14(15)22(25)26)30(27,28)17(18,19)20/h2-8H,9H2,1H3,(H,21,24)