N-(4-acetamidophenyl)-2-[4-[(S)-methylsulfinyl]-2-nitro-phenoxy]ethanamide

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17N3O6S/c1-11(21)18-12-3-5-13(6-4-12)19-17(22)10-26-16-8-7-14(27(2)25)9-15(16)20(23)24/h3-9H,10H2,1-2H3,(H,18,21)(H,19,22)/t27-/m0/s1