3-[2-(cyanomethylamino)-2-oxidanylidene-ethyl]sulfonyl-5-fluoranyl-4-methyl-benzoic acid

Systemtic Name: 3-[2-(cyanomethylamino)-2-oxidanylidene-ethyl]sulfonyl-5-fluoranyl-4-methyl-benzoic acid Openeye Name: 3-[2-(cyanomethylamino)-2-oxo-ethyl]sulfonyl-5-fluoro-4-methyl-benzoic acid CAS Name: 3-[2-(cyanomethylamino)-2-oxoethyl]sulfonyl-5-fluoro-4-methylbenzoic acid IUPAC Name: 3-[2-(cyanomethylamino)-2-oxoethyl]sulfonyl-5-fluoro-4-methylbenzoic acid Traditional Name: 3-[2-(cyanomethylamino)-2-keto-ethyl]sulfonyl-5-fluoro-4-methyl-benzoic acid Formula: C12H11FN2O5S MolecularWeight: 314.289543

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1S(=O)(=O)CC(=O)NCC#N)C(=O)O)F

Isomeric SMILES

CC1=C(C=C(C=C1S(=O)(=O)CC(=O)NCC#N)C(=O)O)F

InChI

InChI=1S/C12H11FN2O5S/c1-7-9(13)4-8(12(17)18)5-10(7)21(19,20)6-11(16)15-3-2-14/h4-5H,3,6H2,1H3,(H,15,16)(H,17,18)