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

Systemtic Name: 3-[2-(2-ethoxy-3-methoxy-phenyl)ethylsulfamoyl]-4-fluoranyl-benzoic acid Openeye Name: 3-[2-(2-ethoxy-3-methoxy-phenyl)ethylsulfamoyl]-4-fluoro-benzoic acid CAS Name: 3-[2-(2-ethoxy-3-methoxyphenyl)ethylsulfamoyl]-4-fluorobenzoic acid IUPAC Name: 3-[2-(2-ethoxy-3-methoxyphenyl)ethylsulfamoyl]-4-fluorobenzoic acid Traditional Name: 3-[2-(2-ethoxy-3-methoxy-phenyl)ethylsulfamoyl]-4-fluoro-benzoic acid Formula: C18H20FNO6S MolecularWeight: 397.417903

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20FNO6S/c1-3-26-17-12(5-4-6-15(17)25-2)9-10-20-27(23,24)16-11-13(18(21)22)7-8-14(16)19/h4-8,11,20H,3,9-10H2,1-2H3,(H,21,22)