N-(3-acetamidophenyl)-2-(4-methylsulfinyl-2-nitro-phenoxy)ethanamide

Systemtic Name: N-(3-acetamidophenyl)-2-(4-methylsulfinyl-2-nitro-phenoxy)ethanamide Openeye Name: N-(3-acetamidophenyl)-2-(4-methylsulfinyl-2-nitro-phenoxy)acetamide CAS Name: N-(3-acetamidophenyl)-2-(4-methylsulfinyl-2-nitrophenoxy)acetamide IUPAC Name: N-(3-acetamidophenyl)-2-(4-methylsulfinyl-2-nitrophenoxy)acetamide Traditional Name: N-(3-acetamidophenyl)-2-(4-methylsulfinyl-2-nitro-phenoxy)acetamide Formula: C17H17N3O6S MolecularWeight: 391.39838

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=CC=C1)NC(=O)COC2=C(C=C(C=C2)S(=O)C)[N+](=O)[O-]

Isomeric SMILES

CC(=O)NC1=CC(=CC=C1)NC(=O)COC2=C(C=C(C=C2)S(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C17H17N3O6S/c1-11(21)18-12-4-3-5-13(8-12)19-17(22)10-26-16-7-6-14(27(2)25)9-15(16)20(23)24/h3-9H,10H2,1-2H3,(H,18,21)(H,19,22)