5-(dibutylsulfamoyl)-2-[(4-nitrophenyl)methylsulfanyl]benzoic acid

Systemtic Name: 5-(dibutylsulfamoyl)-2-[(4-nitrophenyl)methylsulfanyl]benzoic acid Openeye Name: 5-(dibutylsulfamoyl)-2-[(4-nitrophenyl)methylsulfanyl]benzoic acid CAS Name: 5-(dibutylsulfamoyl)-2-[(4-nitrophenyl)methylthio]benzoic acid IUPAC Name: 5-(dibutylsulfamoyl)-2-[(4-nitrophenyl)methylsulfanyl]benzoic acid Traditional Name: 5-(dibutylsulfamoyl)-2-[(4-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(=C(C=C1)SCC2=CC=C(C=C2)[N+](=O)[O-])C(=O)O

Isomeric SMILES

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

InChI

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