3-[2-(2-tert-butyl-4-ethyl-phenoxy)ethylsulfamoyl]-4-fluoranyl-benzoic acid

Systemtic Name: 3-[2-(2-tert-butyl-4-ethyl-phenoxy)ethylsulfamoyl]-4-fluoranyl-benzoic acid Openeye Name: 3-[2-(2-tert-butyl-4-ethyl-phenoxy)ethylsulfamoyl]-4-fluoro-benzoic acid CAS Name: 3-[2-(2-tert-butyl-4-ethylphenoxy)ethylsulfamoyl]-4-fluorobenzoic acid IUPAC Name: 3-[2-(2-tert-butyl-4-ethylphenoxy)ethylsulfamoyl]-4-fluorobenzoic acid Traditional Name: 3-[2-(2-tert-butyl-4-ethyl-phenoxy)ethylsulfamoyl]-4-fluoro-benzoic acid Formula: C21H26FNO5S MolecularWeight: 423.498243

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C=C1)OCCNS(=O)(=O)C2=C(C=CC(=C2)C(=O)O)F)C(C)(C)C

Isomeric SMILES

CCC1=CC(=C(C=C1)OCCNS(=O)(=O)C2=C(C=CC(=C2)C(=O)O)F)C(C)(C)C

InChI

InChI=1S/C21H26FNO5S/c1-5-14-6-9-18(16(12-14)21(2,3)4)28-11-10-23-29(26,27)19-13-15(20(24)25)7-8-17(19)22/h6-9,12-13,23H,5,10-11H2,1-4H3,(H,24,25)