[2-(furan-2-ylmethylamino)-2-oxidanylidene-ethyl] 1-(4-fluorophenyl)sulfonylpiperidine-4-carboxylate

Systemtic Name: [2-(furan-2-ylmethylamino)-2-oxidanylidene-ethyl] 1-(4-fluorophenyl)sulfonylpiperidine-4-carboxylate Openeye Name: [2-(2-furylmethylamino)-2-oxo-ethyl] 1-(4-fluorophenyl)sulfonylpiperidine-4-carboxylate CAS Name: 1-(4-fluorophenyl)sulfonyl-4-piperidinecarboxylic acid [2-(2-furanylmethylamino)-2-oxoethyl] ester IUPAC Name: [2-(furan-2-ylmethylamino)-2-oxoethyl] 1-(4-fluorophenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-(4-fluorophenyl)sulfonylisonipecotic acid [2-(2-furfurylamino)-2-keto-ethyl] ester Formula: C19H21FN2O6S MolecularWeight: 424.443243

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)OCC(=O)NCC2=CC=CO2)S(=O)(=O)C3=CC=C(C=C3)F

Isomeric SMILES

C1CN(CCC1C(=O)OCC(=O)NCC2=CC=CO2)S(=O)(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C19H21FN2O6S/c20-15-3-5-17(6-4-15)29(25,26)22-9-7-14(8-10-22)19(24)28-13-18(23)21-12-16-2-1-11-27-16/h1-6,11,14H,7-10,12-13H2,(H,21,23)