5-[(3-chloranyl-4-fluoranyl-phenyl)methylsulfamoyl]-2-(1-phenylbutylamino)benzoic acid

Systemtic Name: 5-[(3-chloranyl-4-fluoranyl-phenyl)methylsulfamoyl]-2-(1-phenylbutylamino)benzoic acid Openeye Name: 5-[(3-chloro-4-fluoro-phenyl)methylsulfamoyl]-2-(1-phenylbutylamino)benzoic acid CAS Name: 5-[(3-chloro-4-fluorophenyl)methylsulfamoyl]-2-(1-phenylbutylamino)benzoic acid IUPAC Name: 5-[(3-chloro-4-fluorophenyl)methylsulfamoyl]-2-(1-phenylbutylamino)benzoic acid Traditional Name: 5-[(3-chloro-4-fluoro-benzyl)sulfamoyl]-2-(1-phenylbutylamino)benzoic acid Formula: C24H24ClFN2O4S MolecularWeight: 490.974763

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=CC=CC=C1)NC2=C(C=C(C=C2)S(=O)(=O)NCC3=CC(=C(C=C3)F)Cl)C(=O)O

Isomeric SMILES

CCCC(C1=CC=CC=C1)NC2=C(C=C(C=C2)S(=O)(=O)NCC3=CC(=C(C=C3)F)Cl)C(=O)O

InChI

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