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

Systemtic Name: N-(4-acetamidophenyl)-2-[2-nitro-4-(trifluoromethylsulfonyl)phenyl]sulfonyl-ethanamide Openeye Name: N-(4-acetamidophenyl)-2-[2-nitro-4-(trifluoromethylsulfonyl)phenyl]sulfonyl-acetamide CAS Name: N-(4-acetamidophenyl)-2-[2-nitro-4-(trifluoromethylsulfonyl)phenyl]sulfonylacetamide IUPAC Name: N-(4-acetamidophenyl)-2-[2-nitro-4-(trifluoromethylsulfonyl)phenyl]sulfonylacetamide Traditional Name: N-(4-acetamidophenyl)-2-(2-nitro-4-triflyl-phenyl)sulfonyl-acetamide Formula: C17H14F3N3O8S2 MolecularWeight: 509.43357

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H14F3N3O8S2/c1-10(24)21-11-2-4-12(5-3-11)22-16(25)9-32(28,29)15-7-6-13(8-14(15)23(26)27)33(30,31)17(18,19)20/h2-8H,9H2,1H3,(H,21,24)(H,22,25)