3-[(2-ethoxy-3-methoxy-phenyl)methylsulfamoyl]-4-fluoranyl-benzoic acid

Systemtic Name: 3-[(2-ethoxy-3-methoxy-phenyl)methylsulfamoyl]-4-fluoranyl-benzoic acid Openeye Name: 3-[(2-ethoxy-3-methoxy-phenyl)methylsulfamoyl]-4-fluoro-benzoic acid CAS Name: 3-[(2-ethoxy-3-methoxyphenyl)methylsulfamoyl]-4-fluorobenzoic acid IUPAC Name: 3-[(2-ethoxy-3-methoxyphenyl)methylsulfamoyl]-4-fluorobenzoic acid Traditional Name: 3-[(2-ethoxy-3-methoxy-benzyl)sulfamoyl]-4-fluoro-benzoic acid Formula: C17H18FNO6S MolecularWeight: 383.391323

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC=C1OC)CNS(=O)(=O)C2=C(C=CC(=C2)C(=O)O)F

Isomeric SMILES

CCOC1=C(C=CC=C1OC)CNS(=O)(=O)C2=C(C=CC(=C2)C(=O)O)F

InChI

InChI=1S/C17H18FNO6S/c1-3-25-16-12(5-4-6-14(16)24-2)10-19-26(22,23)15-9-11(17(20)21)7-8-13(15)18/h4-9,19H,3,10H2,1-2H3,(H,20,21)