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

Systemtic Name: [2-oxidanylidene-2-(thiophen-2-ylmethylamino)ethyl] 4-fluoranyl-3-morpholin-4-ylsulfonyl-benzoate Openeye Name: [2-oxo-2-(2-thienylmethylamino)ethyl] 4-fluoro-3-morpholinosulfonyl-benzoate CAS Name: 4-fluoro-3-(4-morpholinylsulfonyl)benzoic acid [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] ester IUPAC Name: [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 4-fluoro-3-morpholin-4-ylsulfonylbenzoate Traditional Name: 4-fluoro-3-morpholinosulfonyl-benzoic acid [2-keto-2-(2-thenylamino)ethyl] ester Formula: C18H19FN2O6S2 MolecularWeight: 442.481663

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC(=O)NCC3=CC=CS3)F

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC(=O)NCC3=CC=CS3)F

InChI

InChI=1S/C18H19FN2O6S2/c19-15-4-3-13(10-16(15)29(24,25)21-5-7-26-8-6-21)18(23)27-12-17(22)20-11-14-2-1-9-28-14/h1-4,9-10H,5-8,11-12H2,(H,20,22)