3-[(3-ethoxy-4-propoxy-phenyl)methylsulfamoyl]-4-fluoranyl-benzoic acid

Systemtic Name: 3-[(3-ethoxy-4-propoxy-phenyl)methylsulfamoyl]-4-fluoranyl-benzoic acid Openeye Name: 3-[(3-ethoxy-4-propoxy-phenyl)methylsulfamoyl]-4-fluoro-benzoic acid CAS Name: 3-[(3-ethoxy-4-propoxyphenyl)methylsulfamoyl]-4-fluorobenzoic acid IUPAC Name: 3-[(3-ethoxy-4-propoxyphenyl)methylsulfamoyl]-4-fluorobenzoic acid Traditional Name: 3-[(3-ethoxy-4-propoxy-benzyl)sulfamoyl]-4-fluoro-benzoic acid Formula: C19H22FNO6S MolecularWeight: 411.444483

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)CNS(=O)(=O)C2=C(C=CC(=C2)C(=O)O)F)OCC

Isomeric SMILES

CCCOC1=C(C=C(C=C1)CNS(=O)(=O)C2=C(C=CC(=C2)C(=O)O)F)OCC

InChI

InChI=1S/C19H22FNO6S/c1-3-9-27-16-8-5-13(10-17(16)26-4-2)12-21-28(24,25)18-11-14(19(22)23)6-7-15(18)20/h5-8,10-11,21H,3-4,9,12H2,1-2H3,(H,22,23)