[(2S)-1-(ethylamino)-1-oxidanylidene-propan-2-yl] 2-fluoranyl-5-morpholin-4-ylsulfonyl-benzoate

Systemtic Name: [(2S)-1-(ethylamino)-1-oxidanylidene-propan-2-yl] 2-fluoranyl-5-morpholin-4-ylsulfonyl-benzoate Openeye Name: [(1S)-2-(ethylamino)-1-methyl-2-oxo-ethyl] 2-fluoro-5-morpholinosulfonyl-benzoate CAS Name: 2-fluoro-5-(4-morpholinylsulfonyl)benzoic acid [(2S)-1-(ethylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(ethylamino)-1-oxopropan-2-yl] 2-fluoro-5-morpholin-4-ylsulfonylbenzoate Traditional Name: 2-fluoro-5-morpholinosulfonyl-benzoic acid [(1S)-2-(ethylamino)-2-keto-1-methyl-ethyl] ester Formula: C16H21FN2O6S MolecularWeight: 388.411143

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C(C)OC(=O)C1=C(C=CC(=C1)S(=O)(=O)N2CCOCC2)F

Isomeric SMILES

CCNC(=O)[C@H](C)OC(=O)C1=C(C=CC(=C1)S(=O)(=O)N2CCOCC2)F

InChI

InChI=1S/C16H21FN2O6S/c1-3-18-15(20)11(2)25-16(21)13-10-12(4-5-14(13)17)26(22,23)19-6-8-24-9-7-19/h4-5,10-11H,3,6-9H2,1-2H3,(H,18,20)/t11-/m0/s1