3-[2-(3,5-dimethylphenoxy)ethyl-methyl-sulfamoyl]-4-fluoranyl-benzoic acid

Systemtic Name: 3-[2-(3,5-dimethylphenoxy)ethyl-methyl-sulfamoyl]-4-fluoranyl-benzoic acid Openeye Name: 3-[2-(3,5-dimethylphenoxy)ethyl-methyl-sulfamoyl]-4-fluoro-benzoic acid CAS Name: 3-[2-(3,5-dimethylphenoxy)ethyl-methylsulfamoyl]-4-fluorobenzoic acid IUPAC Name: 3-[2-(3,5-dimethylphenoxy)ethyl-methylsulfamoyl]-4-fluorobenzoic acid Traditional Name: 3-[2-(3,5-dimethylphenoxy)ethyl-methyl-sulfamoyl]-4-fluoro-benzoic acid Formula: C18H20FNO5S MolecularWeight: 381.418503

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OCCN(C)S(=O)(=O)C2=C(C=CC(=C2)C(=O)O)F)C

Isomeric SMILES

CC1=CC(=CC(=C1)OCCN(C)S(=O)(=O)C2=C(C=CC(=C2)C(=O)O)F)C

InChI

InChI=1S/C18H20FNO5S/c1-12-8-13(2)10-15(9-12)25-7-6-20(3)26(23,24)17-11-14(18(21)22)4-5-16(17)19/h4-5,8-11H,6-7H2,1-3H3,(H,21,22)