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

Systemtic Name: 3-(dibutylsulfamoyl)-5-[(3-nitrophenyl)methylsulfanyl]benzoic acid Openeye Name: 3-(dibutylsulfamoyl)-5-[(3-nitrophenyl)methylsulfanyl]benzoic acid CAS Name: 3-(dibutylsulfamoyl)-5-[(3-nitrophenyl)methylthio]benzoic acid IUPAC Name: 3-(dibutylsulfamoyl)-5-[(3-nitrophenyl)methylsulfanyl]benzoic acid Traditional Name: 3-(dibutylsulfamoyl)-5-[(3-nitrobenzyl)thio]benzoic acid Formula: C22H28N2O6S2 MolecularWeight: 480.59752

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N2O6S2/c1-3-5-10-23(11-6-4-2)32(29,30)21-14-18(22(25)26)13-20(15-21)31-16-17-8-7-9-19(12-17)24(27)28/h7-9,12-15H,3-6,10-11,16H2,1-2H3,(H,25,26)