ethyl 2-[4-(dibutylsulfamoyl)-2-nitro-phenyl]sulfanylethanoate

Systemtic Name: ethyl 2-[4-(dibutylsulfamoyl)-2-nitro-phenyl]sulfanylethanoate Openeye Name: ethyl 2-[4-(dibutylsulfamoyl)-2-nitro-phenyl]sulfanylacetate CAS Name: 2-[[4-(dibutylsulfamoyl)-2-nitrophenyl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[4-(dibutylsulfamoyl)-2-nitrophenyl]sulfanylacetate Traditional Name: 2-[[4-(dibutylsulfamoyl)-2-nitro-phenyl]thio]acetic acid ethyl ester Formula: C18H28N2O6S2 MolecularWeight: 432.55472

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CCCC)S(=O)(=O)C1=CC(=C(C=C1)SCC(=O)OCC)[N+](=O)[O-]

Isomeric SMILES

CCCCN(CCCC)S(=O)(=O)C1=CC(=C(C=C1)SCC(=O)OCC)[N+](=O)[O-]

InChI

InChI=1S/C18H28N2O6S2/c1-4-7-11-19(12-8-5-2)28(24,25)15-9-10-17(16(13-15)20(22)23)27-14-18(21)26-6-3/h9-10,13H,4-8,11-12,14H2,1-3H3