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

Systemtic Name: 5-[(3-chloranyl-4-fluoranyl-phenyl)methylsulfamoyl]-2-fluoranyl-4-propyl-benzoic acid Openeye Name: 5-[(3-chloro-4-fluoro-phenyl)methylsulfamoyl]-2-fluoro-4-propyl-benzoic acid CAS Name: 5-[(3-chloro-4-fluorophenyl)methylsulfamoyl]-2-fluoro-4-propylbenzoic acid IUPAC Name: 5-[(3-chloro-4-fluorophenyl)methylsulfamoyl]-2-fluoro-4-propylbenzoic acid Traditional Name: 5-[(3-chloro-4-fluoro-benzyl)sulfamoyl]-2-fluoro-4-propyl-benzoic acid Formula: C17H16ClF2NO4S MolecularWeight: 403.828046

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=C(C(=C1)F)C(=O)O)S(=O)(=O)NCC2=CC(=C(C=C2)F)Cl

Isomeric SMILES

CCCC1=C(C=C(C(=C1)F)C(=O)O)S(=O)(=O)NCC2=CC(=C(C=C2)F)Cl

InChI

InChI=1S/C17H16ClF2NO4S/c1-2-3-11-7-15(20)12(17(22)23)8-16(11)26(24,25)21-9-10-4-5-14(19)13(18)6-10/h4-8,21H,2-3,9H2,1H3,(H,22,23)