3-[2-(diethylazaniumyl)ethylsulfamoyl]-4-fluoranyl-benzoate

Systemtic Name: 3-[2-(diethylazaniumyl)ethylsulfamoyl]-4-fluoranyl-benzoate Openeye Name: 3-[2-(diethylammonio)ethylsulfamoyl]-4-fluoro-benzoate CAS Name: 3-[2-(diethylammonio)ethylsulfamoyl]-4-fluorobenzoate IUPAC Name: 3-[2-(diethylazaniumyl)ethylsulfamoyl]-4-fluorobenzoate Traditional Name: 3-[2-(diethylammonio)ethylsulfamoyl]-4-fluoro-benzoate Formula: C13H19FN2O4S MolecularWeight: 318.364363

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCNS(=O)(=O)C1=C(C=CC(=C1)C(=O)[O-])F

Isomeric SMILES

CC[NH+](CC)CCNS(=O)(=O)C1=C(C=CC(=C1)C(=O)[O-])F

InChI

InChI=1S/C13H19FN2O4S/c1-3-16(4-2)8-7-15-21(19,20)12-9-10(13(17)18)5-6-11(12)14/h5-6,9,15H,3-4,7-8H2,1-2H3,(H,17,18)