N-(3-acetamidophenyl)-2-[2-nitro-4-(trifluoromethylsulfonyl)phenyl]sulfinyl-ethanamide

Systemtic Name: N-(3-acetamidophenyl)-2-[2-nitro-4-(trifluoromethylsulfonyl)phenyl]sulfinyl-ethanamide Openeye Name: N-(3-acetamidophenyl)-2-[2-nitro-4-(trifluoromethylsulfonyl)phenyl]sulfinyl-acetamide CAS Name: N-(3-acetamidophenyl)-2-[2-nitro-4-(trifluoromethylsulfonyl)phenyl]sulfinylacetamide IUPAC Name: N-(3-acetamidophenyl)-2-[2-nitro-4-(trifluoromethylsulfonyl)phenyl]sulfinylacetamide Traditional Name: N-(3-acetamidophenyl)-2-(2-nitro-4-triflyl-phenyl)sulfinyl-acetamide Formula: C17H14F3N3O7S2 MolecularWeight: 493.43417

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H14F3N3O7S2/c1-10(24)21-11-3-2-4-12(7-11)22-16(25)9-31(28)15-6-5-13(8-14(15)23(26)27)32(29,30)17(18,19)20/h2-8H,9H2,1H3,(H,21,24)(H,22,25)