5-[(3-chloranyl-4-fluoranyl-phenyl)methylsulfamoyl]-2-(2-phenylbutylamino)benzoic acid

Systemtic Name: 5-[(3-chloranyl-4-fluoranyl-phenyl)methylsulfamoyl]-2-(2-phenylbutylamino)benzoic acid Openeye Name: 5-[(3-chloro-4-fluoro-phenyl)methylsulfamoyl]-2-(2-phenylbutylamino)benzoic acid CAS Name: 5-[(3-chloro-4-fluorophenyl)methylsulfamoyl]-2-(2-phenylbutylamino)benzoic acid IUPAC Name: 5-[(3-chloro-4-fluorophenyl)methylsulfamoyl]-2-(2-phenylbutylamino)benzoic acid Traditional Name: 5-[(3-chloro-4-fluoro-benzyl)sulfamoyl]-2-(2-phenylbutylamino)benzoic acid Formula: C24H24ClFN2O4S MolecularWeight: 490.974763

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CNC1=C(C=C(C=C1)S(=O)(=O)NCC2=CC(=C(C=C2)F)Cl)C(=O)O)C3=CC=CC=C3

Isomeric SMILES

CCC(CNC1=C(C=C(C=C1)S(=O)(=O)NCC2=CC(=C(C=C2)F)Cl)C(=O)O)C3=CC=CC=C3

InChI

InChI=1S/C24H24ClFN2O4S/c1-2-17(18-6-4-3-5-7-18)15-27-23-11-9-19(13-20(23)24(29)30)33(31,32)28-14-16-8-10-22(26)21(25)12-16/h3-13,17,27-28H,2,14-15H2,1H3,(H,29,30)