3-[1-(ethylamino)-1-oxidanylidene-propan-2-yl]sulfonyl-5-fluoranyl-4-methyl-benzoic acid

Systemtic Name: 3-[1-(ethylamino)-1-oxidanylidene-propan-2-yl]sulfonyl-5-fluoranyl-4-methyl-benzoic acid Openeye Name: 3-[2-(ethylamino)-1-methyl-2-oxo-ethyl]sulfonyl-5-fluoro-4-methyl-benzoic acid CAS Name: 3-[1-(ethylamino)-1-oxopropan-2-yl]sulfonyl-5-fluoro-4-methylbenzoic acid IUPAC Name: 3-[1-(ethylamino)-1-oxopropan-2-yl]sulfonyl-5-fluoro-4-methylbenzoic acid Traditional Name: 3-[2-(ethylamino)-2-keto-1-methyl-ethyl]sulfonyl-5-fluoro-4-methyl-benzoic acid Formula: C13H16FNO5S MolecularWeight: 317.333243

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C(C)S(=O)(=O)C1=CC(=CC(=C1C)F)C(=O)O

Isomeric SMILES

CCNC(=O)C(C)S(=O)(=O)C1=CC(=CC(=C1C)F)C(=O)O

InChI

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