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

Systemtic Name: N-(3-acetamidophenyl)-2-(4-methylsulfinyl-2-nitro-phenyl)sulfonyl-ethanamide Openeye Name: N-(3-acetamidophenyl)-2-(4-methylsulfinyl-2-nitro-phenyl)sulfonyl-acetamide CAS Name: N-(3-acetamidophenyl)-2-(4-methylsulfinyl-2-nitrophenyl)sulfonylacetamide IUPAC Name: N-(3-acetamidophenyl)-2-(4-methylsulfinyl-2-nitrophenyl)sulfonylacetamide Traditional Name: N-(3-acetamidophenyl)-2-(4-methylsulfinyl-2-nitro-phenyl)sulfonyl-acetamide Formula: C17H17N3O7S2 MolecularWeight: 439.46278

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17N3O7S2/c1-11(21)18-12-4-3-5-13(8-12)19-17(22)10-29(26,27)16-7-6-14(28(2)25)9-15(16)20(23)24/h3-9H,10H2,1-2H3,(H,18,21)(H,19,22)