methyl 2-[3-[(5-azanyl-2-fluoranyl-phenyl)amino]-3-oxidanylidene-propyl]sulfonylethanoate

Systemtic Name: methyl 2-[3-[(5-azanyl-2-fluoranyl-phenyl)amino]-3-oxidanylidene-propyl]sulfonylethanoate Openeye Name: methyl 2-[3-(5-amino-2-fluoro-anilino)-3-oxo-propyl]sulfonylacetate CAS Name: 2-[3-(5-amino-2-fluoroanilino)-3-oxopropyl]sulfonylacetic acid methyl ester IUPAC Name: methyl 2-[3-(5-amino-2-fluoroanilino)-3-oxopropyl]sulfonylacetate Traditional Name: 2-[3-(5-amino-2-fluoro-anilino)-3-keto-propyl]sulfonylacetic acid methyl ester Formula: C12H15FN2O5S MolecularWeight: 318.321303

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CS(=O)(=O)CCC(=O)NC1=C(C=CC(=C1)N)F

Isomeric SMILES

COC(=O)CS(=O)(=O)CCC(=O)NC1=C(C=CC(=C1)N)F

InChI

InChI=1S/C12H15FN2O5S/c1-20-12(17)7-21(18,19)5-4-11(16)15-10-6-8(14)2-3-9(10)13/h2-3,6H,4-5,7,14H2,1H3,(H,15,16)