2-[(4-chlorophenyl)methylsulfinyl]-5-(dihexylsulfamoyl)benzoic acid

Systemtic Name: 2-[(4-chlorophenyl)methylsulfinyl]-5-(dihexylsulfamoyl)benzoic acid Openeye Name: 2-[(4-chlorophenyl)methylsulfinyl]-5-(dihexylsulfamoyl)benzoic acid CAS Name: 2-[(4-chlorophenyl)methylsulfinyl]-5-(dihexylsulfamoyl)benzoic acid IUPAC Name: 2-[(4-chlorophenyl)methylsulfinyl]-5-(dihexylsulfamoyl)benzoic acid Traditional Name: 2-(4-chlorobenzyl)sulfinyl-5-(dihexylsulfamoyl)benzoic acid Formula: C26H36ClNO5S2 MolecularWeight: 542.15074

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN(CCCCCC)S(=O)(=O)C1=CC(=C(C=C1)S(=O)CC2=CC=C(C=C2)Cl)C(=O)O

Isomeric SMILES

CCCCCCN(CCCCCC)S(=O)(=O)C1=CC(=C(C=C1)S(=O)CC2=CC=C(C=C2)Cl)C(=O)O

InChI

InChI=1S/C26H36ClNO5S2/c1-3-5-7-9-17-28(18-10-8-6-4-2)35(32,33)23-15-16-25(24(19-23)26(29)30)34(31)20-21-11-13-22(27)14-12-21/h11-16,19H,3-10,17-18,20H2,1-2H3,(H,29,30)