5-(dihexylsulfamoyl)-2-[(4-fluorophenyl)methylsulfanyl]benzoic acid

Systemtic Name: 5-(dihexylsulfamoyl)-2-[(4-fluorophenyl)methylsulfanyl]benzoic acid Openeye Name: 5-(dihexylsulfamoyl)-2-[(4-fluorophenyl)methylsulfanyl]benzoic acid CAS Name: 5-(dihexylsulfamoyl)-2-[(4-fluorophenyl)methylthio]benzoic acid IUPAC Name: 5-(dihexylsulfamoyl)-2-[(4-fluorophenyl)methylsulfanyl]benzoic acid Traditional Name: 5-(dihexylsulfamoyl)-2-[(4-fluorobenzyl)thio]benzoic acid Formula: C26H36FNO4S2 MolecularWeight: 509.696743

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H36FNO4S2/c1-3-5-7-9-17-28(18-10-8-6-4-2)34(31,32)23-15-16-25(24(19-23)26(29)30)33-20-21-11-13-22(27)14-12-21/h11-16,19H,3-10,17-18,20H2,1-2H3,(H,29,30)