N-(3-acetamidophenyl)-2-(4-methylsulfonyl-2-nitro-phenyl)sulfanyl-ethanamide

Systemtic Name: N-(3-acetamidophenyl)-2-(4-methylsulfonyl-2-nitro-phenyl)sulfanyl-ethanamide Openeye Name: N-(3-acetamidophenyl)-2-(4-methylsulfonyl-2-nitro-phenyl)sulfanyl-acetamide CAS Name: N-(3-acetamidophenyl)-2-[(4-methylsulfonyl-2-nitrophenyl)thio]acetamide IUPAC Name: N-(3-acetamidophenyl)-2-(4-methylsulfonyl-2-nitrophenyl)sulfanylacetamide Traditional Name: N-(3-acetamidophenyl)-2-[(4-mesyl-2-nitro-phenyl)thio]acetamide Formula: C17H17N3O6S2 MolecularWeight: 423.46338

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=CC=C1)NC(=O)CSC2=C(C=C(C=C2)S(=O)(=O)C)[N+](=O)[O-]

Isomeric SMILES

CC(=O)NC1=CC(=CC=C1)NC(=O)CSC2=C(C=C(C=C2)S(=O)(=O)C)[N+](=O)[O-]

InChI

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