3-[2-(diethylamino)-2-oxidanylidene-ethyl]sulfonyl-4-fluoranyl-benzoic acid

Systemtic Name: 3-[2-(diethylamino)-2-oxidanylidene-ethyl]sulfonyl-4-fluoranyl-benzoic acid Openeye Name: 3-[2-(diethylamino)-2-oxo-ethyl]sulfonyl-4-fluoro-benzoic acid CAS Name: 3-[2-(diethylamino)-2-oxoethyl]sulfonyl-4-fluorobenzoic acid IUPAC Name: 3-[2-(diethylamino)-2-oxoethyl]sulfonyl-4-fluorobenzoic acid Traditional Name: 3-[2-(diethylamino)-2-keto-ethyl]sulfonyl-4-fluoro-benzoic acid Formula: C13H16FNO5S MolecularWeight: 317.333243

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)CS(=O)(=O)C1=C(C=CC(=C1)C(=O)O)F

Isomeric SMILES

CCN(CC)C(=O)CS(=O)(=O)C1=C(C=CC(=C1)C(=O)O)F

InChI

InChI=1S/C13H16FNO5S/c1-3-15(4-2)12(16)8-21(19,20)11-7-9(13(17)18)5-6-10(11)14/h5-7H,3-4,8H2,1-2H3,(H,17,18)