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

Systemtic Name: ethyl 2-[2-nitro-4-(phenylsulfamoyl)phenyl]sulfanylethanoate Openeye Name: ethyl 2-[2-nitro-4-(phenylsulfamoyl)phenyl]sulfanylacetate CAS Name: 2-[[2-nitro-4-(phenylsulfamoyl)phenyl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-nitro-4-(phenylsulfamoyl)phenyl]sulfanylacetate Traditional Name: 2-[[2-nitro-4-(phenylsulfamoyl)phenyl]thio]acetic acid ethyl ester Formula: C16H16N2O6S2 MolecularWeight: 396.43804

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=C(C=C(C=C1)S(=O)(=O)NC2=CC=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)CSC1=C(C=C(C=C1)S(=O)(=O)NC2=CC=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C16H16N2O6S2/c1-2-24-16(19)11-25-15-9-8-13(10-14(15)18(20)21)26(22,23)17-12-6-4-3-5-7-12/h3-10,17H,2,11H2,1H3