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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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