N-(3-acetamidophenyl)-2-(4-methylsulfanyl-2-nitro-phenyl)sulfonyl-ethanamide

Systemtic Name: N-(3-acetamidophenyl)-2-(4-methylsulfanyl-2-nitro-phenyl)sulfonyl-ethanamide Openeye Name: N-(3-acetamidophenyl)-2-(4-methylsulfanyl-2-nitro-phenyl)sulfonyl-acetamide CAS Name: N-(3-acetamidophenyl)-2-[4-(methylthio)-2-nitrophenyl]sulfonylacetamide IUPAC Name: N-(3-acetamidophenyl)-2-(4-methylsulfanyl-2-nitrophenyl)sulfonylacetamide Traditional Name: N-(3-acetamidophenyl)-2-[4-(methylthio)-2-nitro-phenyl]sulfonyl-acetamide Formula: C17H17N3O6S2 MolecularWeight: 423.46338

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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)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C17H17N3O6S2/c1-11(21)18-12-4-3-5-13(8-12)19-17(22)10-28(25,26)16-7-6-14(27-2)9-15(16)20(23)24/h3-9H,10H2,1-2H3,(H,18,21)(H,19,22)