N-(3-acetamidophenyl)-2-[2-nitro-4-(trifluoromethylsulfanyl)phenyl]sulfonyl-ethanamide

Systemtic Name: N-(3-acetamidophenyl)-2-[2-nitro-4-(trifluoromethylsulfanyl)phenyl]sulfonyl-ethanamide Openeye Name: N-(3-acetamidophenyl)-2-[2-nitro-4-(trifluoromethylsulfanyl)phenyl]sulfonyl-acetamide CAS Name: N-(3-acetamidophenyl)-2-[2-nitro-4-(trifluoromethylthio)phenyl]sulfonylacetamide IUPAC Name: N-(3-acetamidophenyl)-2-[2-nitro-4-(trifluoromethylsulfanyl)phenyl]sulfonylacetamide Traditional Name: N-(3-acetamidophenyl)-2-[2-nitro-4-(trifluoromethylthio)phenyl]sulfonyl-acetamide Formula: C17H14F3N3O6S2 MolecularWeight: 477.43477

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=CC=C1)NC(=O)CS(=O)(=O)C2=C(C=C(C=C2)SC(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CC(=O)NC1=CC(=CC=C1)NC(=O)CS(=O)(=O)C2=C(C=C(C=C2)SC(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C17H14F3N3O6S2/c1-10(24)21-11-3-2-4-12(7-11)22-16(25)9-31(28,29)15-6-5-13(30-17(18,19)20)8-14(15)23(26)27/h2-8H,9H2,1H3,(H,21,24)(H,22,25)