2-[(3-bromophenyl)methylsulfanyl]-5-(dihexylsulfamoyl)benzoic acid

Systemtic Name: 2-[(3-bromophenyl)methylsulfanyl]-5-(dihexylsulfamoyl)benzoic acid Openeye Name: 2-[(3-bromophenyl)methylsulfanyl]-5-(dihexylsulfamoyl)benzoic acid CAS Name: 2-[(3-bromophenyl)methylthio]-5-(dihexylsulfamoyl)benzoic acid IUPAC Name: 2-[(3-bromophenyl)methylsulfanyl]-5-(dihexylsulfamoyl)benzoic acid Traditional Name: 2-[(3-bromobenzyl)thio]-5-(dihexylsulfamoyl)benzoic acid Formula: C26H36BrNO4S2 MolecularWeight: 570.60234

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN(CCCCCC)S(=O)(=O)C1=CC(=C(C=C1)SCC2=CC(=CC=C2)Br)C(=O)O

Isomeric SMILES

CCCCCCN(CCCCCC)S(=O)(=O)C1=CC(=C(C=C1)SCC2=CC(=CC=C2)Br)C(=O)O

InChI

InChI=1S/C26H36BrNO4S2/c1-3-5-7-9-16-28(17-10-8-6-4-2)34(31,32)23-14-15-25(24(19-23)26(29)30)33-20-21-12-11-13-22(27)18-21/h11-15,18-19H,3-10,16-17,20H2,1-2H3,(H,29,30)