[1-(2-methylpropylamino)-1-oxidanylidene-propan-2-yl] 4-fluoranyl-3-morpholin-4-ylsulfonyl-benzoate

Systemtic Name: [1-(2-methylpropylamino)-1-oxidanylidene-propan-2-yl] 4-fluoranyl-3-morpholin-4-ylsulfonyl-benzoate Openeye Name: [2-(isobutylamino)-1-methyl-2-oxo-ethyl] 4-fluoro-3-morpholinosulfonyl-benzoate CAS Name: 4-fluoro-3-(4-morpholinylsulfonyl)benzoic acid [1-(2-methylpropylamino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2-methylpropylamino)-1-oxopropan-2-yl] 4-fluoro-3-morpholin-4-ylsulfonylbenzoate Traditional Name: 4-fluoro-3-morpholinosulfonyl-benzoic acid [2-(isobutylamino)-2-keto-1-methyl-ethyl] ester Formula: C18H25FN2O6S MolecularWeight: 416.464303

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H25FN2O6S/c1-12(2)11-20-17(22)13(3)27-18(23)14-4-5-15(19)16(10-14)28(24,25)21-6-8-26-9-7-21/h4-5,10,12-13H,6-9,11H2,1-3H3,(H,20,22)