3-(dimethylsulfamoyl)-5-[(3-nitrophenyl)methylsulfanyl]benzoic acid

Systemtic Name: 3-(dimethylsulfamoyl)-5-[(3-nitrophenyl)methylsulfanyl]benzoic acid Openeye Name: 3-(dimethylsulfamoyl)-5-[(3-nitrophenyl)methylsulfanyl]benzoic acid CAS Name: 3-(dimethylsulfamoyl)-5-[(3-nitrophenyl)methylthio]benzoic acid IUPAC Name: 3-(dimethylsulfamoyl)-5-[(3-nitrophenyl)methylsulfanyl]benzoic acid Traditional Name: 3-(dimethylsulfamoyl)-5-[(3-nitrobenzyl)thio]benzoic acid Formula: C16H16N2O6S2 MolecularWeight: 396.43804

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)S(=O)(=O)C1=CC(=CC(=C1)SCC2=CC(=CC=C2)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CN(C)S(=O)(=O)C1=CC(=CC(=C1)SCC2=CC(=CC=C2)[N+](=O)[O-])C(=O)O

InChI

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