methyl 2-[1-[(2-azanyl-4-fluoranyl-phenyl)amino]-1-oxidanylidene-propan-2-yl]sulfonylethanoate

Systemtic Name: methyl 2-[1-[(2-azanyl-4-fluoranyl-phenyl)amino]-1-oxidanylidene-propan-2-yl]sulfonylethanoate Openeye Name: methyl 2-[2-(2-amino-4-fluoro-anilino)-1-methyl-2-oxo-ethyl]sulfonylacetate CAS Name: 2-[1-(2-amino-4-fluoroanilino)-1-oxopropan-2-yl]sulfonylacetic acid methyl ester IUPAC Name: methyl 2-[1-(2-amino-4-fluoroanilino)-1-oxopropan-2-yl]sulfonylacetate Traditional Name: 2-[2-(2-amino-4-fluoro-anilino)-2-keto-1-methyl-ethyl]sulfonylacetic acid methyl ester Formula: C12H15FN2O5S MolecularWeight: 318.321303

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=C(C=C1)F)N)S(=O)(=O)CC(=O)OC

Isomeric SMILES

CC(C(=O)NC1=C(C=C(C=C1)F)N)S(=O)(=O)CC(=O)OC

InChI

InChI=1S/C12H15FN2O5S/c1-7(21(18,19)6-11(16)20-2)12(17)15-10-4-3-8(13)5-9(10)14/h3-5,7H,6,14H2,1-2H3,(H,15,17)