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

Systemtic Name: [2-(2-methylpropylamino)-2-oxidanylidene-ethyl] 2-fluoranyl-5-morpholin-4-ylsulfonyl-benzoate Openeye Name: [2-(isobutylamino)-2-oxo-ethyl] 2-fluoro-5-morpholinosulfonyl-benzoate CAS Name: 2-fluoro-5-(4-morpholinylsulfonyl)benzoic acid [2-(2-methylpropylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-methylpropylamino)-2-oxoethyl] 2-fluoro-5-morpholin-4-ylsulfonylbenzoate Traditional Name: 2-fluoro-5-morpholinosulfonyl-benzoic acid [2-(isobutylamino)-2-keto-ethyl] ester Formula: C17H23FN2O6S MolecularWeight: 402.437723

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H23FN2O6S/c1-12(2)10-19-16(21)11-26-17(22)14-9-13(3-4-15(14)18)27(23,24)20-5-7-25-8-6-20/h3-4,9,12H,5-8,10-11H2,1-2H3,(H,19,21)