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

Systemtic Name: [2-(furan-2-ylmethylamino)-2-oxidanylidene-ethyl] 4-fluoranyl-3-morpholin-4-ylsulfonyl-benzoate Openeye Name: [2-(2-furylmethylamino)-2-oxo-ethyl] 4-fluoro-3-morpholinosulfonyl-benzoate CAS Name: 4-fluoro-3-(4-morpholinylsulfonyl)benzoic acid [2-(2-furanylmethylamino)-2-oxoethyl] ester IUPAC Name: [2-(furan-2-ylmethylamino)-2-oxoethyl] 4-fluoro-3-morpholin-4-ylsulfonylbenzoate Traditional Name: 4-fluoro-3-morpholinosulfonyl-benzoic acid [2-(2-furfurylamino)-2-keto-ethyl] ester Formula: C18H19FN2O7S MolecularWeight: 426.416063

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC(=O)NCC3=CC=CO3)F

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC(=O)NCC3=CC=CO3)F

InChI

InChI=1S/C18H19FN2O7S/c19-15-4-3-13(10-16(15)29(24,25)21-5-8-26-9-6-21)18(23)28-12-17(22)20-11-14-2-1-7-27-14/h1-4,7,10H,5-6,8-9,11-12H2,(H,20,22)