[2-oxidanylidene-2-(1-thiophen-2-ylethylamino)ethyl] 4-fluoranyl-3-morpholin-4-ylsulfonyl-benzoate

Systemtic Name: [2-oxidanylidene-2-(1-thiophen-2-ylethylamino)ethyl] 4-fluoranyl-3-morpholin-4-ylsulfonyl-benzoate Openeye Name: [2-oxo-2-[1-(2-thienyl)ethylamino]ethyl] 4-fluoro-3-morpholinosulfonyl-benzoate CAS Name: 4-fluoro-3-(4-morpholinylsulfonyl)benzoic acid [2-oxo-2-(1-thiophen-2-ylethylamino)ethyl] ester IUPAC Name: [2-oxo-2-(1-thiophen-2-ylethylamino)ethyl] 4-fluoro-3-morpholin-4-ylsulfonylbenzoate Traditional Name: 4-fluoro-3-morpholinosulfonyl-benzoic acid [2-keto-2-[1-(2-thienyl)ethylamino]ethyl] ester Formula: C19H21FN2O6S2 MolecularWeight: 456.508243

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CS1)NC(=O)COC(=O)C2=CC(=C(C=C2)F)S(=O)(=O)N3CCOCC3

Isomeric SMILES

CC(C1=CC=CS1)NC(=O)COC(=O)C2=CC(=C(C=C2)F)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C19H21FN2O6S2/c1-13(16-3-2-10-29-16)21-18(23)12-28-19(24)14-4-5-15(20)17(11-14)30(25,26)22-6-8-27-9-7-22/h2-5,10-11,13H,6-9,12H2,1H3,(H,21,23)