2-[(3-chlorophenyl)methylsulfanyl]-5-(dibutylsulfamoyl)benzoic acid

Systemtic Name: 2-[(3-chlorophenyl)methylsulfanyl]-5-(dibutylsulfamoyl)benzoic acid Openeye Name: 2-[(3-chlorophenyl)methylsulfanyl]-5-(dibutylsulfamoyl)benzoic acid CAS Name: 2-[(3-chlorophenyl)methylthio]-5-(dibutylsulfamoyl)benzoic acid IUPAC Name: 2-[(3-chlorophenyl)methylsulfanyl]-5-(dibutylsulfamoyl)benzoic acid Traditional Name: 2-[(3-chlorobenzyl)thio]-5-(dibutylsulfamoyl)benzoic acid Formula: C22H28ClNO4S2 MolecularWeight: 470.04502

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28ClNO4S2/c1-3-5-12-24(13-6-4-2)30(27,28)19-10-11-21(20(15-19)22(25)26)29-16-17-8-7-9-18(23)14-17/h7-11,14-15H,3-6,12-13,16H2,1-2H3,(H,25,26)