5-(dibutylsulfamoyl)-2-(phenylmethylsulfanyl)benzoic acid

Systemtic Name: 5-(dibutylsulfamoyl)-2-(phenylmethylsulfanyl)benzoic acid Openeye Name: 2-benzylsulfanyl-5-(dibutylsulfamoyl)benzoic acid CAS Name: 5-(dibutylsulfamoyl)-2-(phenylmethylthio)benzoic acid IUPAC Name: 2-benzylsulfanyl-5-(dibutylsulfamoyl)benzoic acid Traditional Name: 2-(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(=C(C=C1)SCC2=CC=CC=C2)C(=O)O

Isomeric SMILES

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

InChI

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