3-(dibutylsulfamoyl)-5-(phenylmethylsulfanyl)benzoic acid

Systemtic Name: 3-(dibutylsulfamoyl)-5-(phenylmethylsulfanyl)benzoic acid Openeye Name: 3-benzylsulfanyl-5-(dibutylsulfamoyl)benzoic acid CAS Name: 3-(dibutylsulfamoyl)-5-(phenylmethylthio)benzoic acid IUPAC Name: 3-benzylsulfanyl-5-(dibutylsulfamoyl)benzoic acid Traditional Name: 3-(benzylthio)-5-(dibutylsulfamoyl)benzoic acid Formula: C22H29NO4S2 MolecularWeight: 435.59996

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CCCC)S(=O)(=O)C1=CC(=CC(=C1)SCC2=CC=CC=C2)C(=O)O

Isomeric SMILES

CCCCN(CCCC)S(=O)(=O)C1=CC(=CC(=C1)SCC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C22H29NO4S2/c1-3-5-12-23(13-6-4-2)29(26,27)21-15-19(22(24)25)14-20(16-21)28-17-18-10-8-7-9-11-18/h7-11,14-16H,3-6,12-13,17H2,1-2H3,(H,24,25)