N-[2-(cyanomethylsulfanyl)phenyl]-2-(2-nitro-4-sulfamoyl-phenoxy)ethanamide

Systemtic Name: N-[2-(cyanomethylsulfanyl)phenyl]-2-(2-nitro-4-sulfamoyl-phenoxy)ethanamide Openeye Name: N-[2-(cyanomethylsulfanyl)phenyl]-2-(2-nitro-4-sulfamoyl-phenoxy)acetamide CAS Name: N-[2-(cyanomethylthio)phenyl]-2-(2-nitro-4-sulfamoylphenoxy)acetamide IUPAC Name: N-[2-(cyanomethylsulfanyl)phenyl]-2-(2-nitro-4-sulfamoylphenoxy)acetamide Traditional Name: N-[2-(cyanomethylthio)phenyl]-2-(2-nitro-4-sulfamoyl-phenoxy)acetamide Formula: C16H14N4O6S2 MolecularWeight: 422.43556

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H14N4O6S2/c17-7-8-27-15-4-2-1-3-12(15)19-16(21)10-26-14-6-5-11(28(18,24)25)9-13(14)20(22)23/h1-6,9H,8,10H2,(H,19,21)(H2,18,24,25)