[2-(2-methylbutan-2-ylamino)-2-oxidanylidene-ethyl] 2-fluoranyl-5-morpholin-4-ylsulfonyl-benzoate

Systemtic Name: [2-(2-methylbutan-2-ylamino)-2-oxidanylidene-ethyl] 2-fluoranyl-5-morpholin-4-ylsulfonyl-benzoate Openeye Name: [2-(1,1-dimethylpropylamino)-2-oxo-ethyl] 2-fluoro-5-morpholinosulfonyl-benzoate CAS Name: 2-fluoro-5-(4-morpholinylsulfonyl)benzoic acid [2-(2-methylbutan-2-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-methylbutan-2-ylamino)-2-oxoethyl] 2-fluoro-5-morpholin-4-ylsulfonylbenzoate Traditional Name: 2-fluoro-5-morpholinosulfonyl-benzoic acid [2-(tert-amylamino)-2-keto-ethyl] ester Formula: C18H25FN2O6S MolecularWeight: 416.464303

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)NC(=O)COC(=O)C1=C(C=CC(=C1)S(=O)(=O)N2CCOCC2)F

Isomeric SMILES

CCC(C)(C)NC(=O)COC(=O)C1=C(C=CC(=C1)S(=O)(=O)N2CCOCC2)F

InChI

InChI=1S/C18H25FN2O6S/c1-4-18(2,3)20-16(22)12-27-17(23)14-11-13(5-6-15(14)19)28(24,25)21-7-9-26-10-8-21/h5-6,11H,4,7-10,12H2,1-3H3,(H,20,22)