[2-[2-(4-fluorophenyl)ethylamino]-2-oxidanylidene-ethyl] 5-(phenylsulfonylmethyl)furan-2-carboxylate

Systemtic Name: [2-[2-(4-fluorophenyl)ethylamino]-2-oxidanylidene-ethyl] 5-(phenylsulfonylmethyl)furan-2-carboxylate Openeye Name: [2-[2-(4-fluorophenyl)ethylamino]-2-oxo-ethyl] 5-(benzenesulfonylmethyl)furan-2-carboxylate CAS Name: 5-(benzenesulfonylmethyl)-2-furancarboxylic acid [2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] 5-(benzenesulfonylmethyl)furan-2-carboxylate Traditional Name: 5-(besylmethyl)furan-2-carboxylic acid [2-[2-(4-fluorophenyl)ethylamino]-2-keto-ethyl] ester Formula: C22H20FNO6S MolecularWeight: 445.460703

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)(=O)CC2=CC=C(O2)C(=O)OCC(=O)NCCC3=CC=C(C=C3)F

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)CC2=CC=C(O2)C(=O)OCC(=O)NCCC3=CC=C(C=C3)F

InChI

InChI=1S/C22H20FNO6S/c23-17-8-6-16(7-9-17)12-13-24-21(25)14-29-22(26)20-11-10-18(30-20)15-31(27,28)19-4-2-1-3-5-19/h1-11H,12-15H2,(H,24,25)