[2-(furan-2-ylmethylamino)-2-oxidanylidene-ethyl] 1-pyridin-3-ylsulfonylpiperidine-4-carboxylate

Systemtic Name: [2-(furan-2-ylmethylamino)-2-oxidanylidene-ethyl] 1-pyridin-3-ylsulfonylpiperidine-4-carboxylate Openeye Name: [2-(2-furylmethylamino)-2-oxo-ethyl] 1-(3-pyridylsulfonyl)piperidine-4-carboxylate CAS Name: 1-(3-pyridinylsulfonyl)-4-piperidinecarboxylic acid [2-(2-furanylmethylamino)-2-oxoethyl] ester IUPAC Name: [2-(furan-2-ylmethylamino)-2-oxoethyl] 1-pyridin-3-ylsulfonylpiperidine-4-carboxylate Traditional Name: 1-(3-pyridylsulfonyl)isonipecotic acid [2-(2-furfurylamino)-2-keto-ethyl] ester Formula: C18H21N3O6S MolecularWeight: 407.44084

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21N3O6S/c22-17(20-11-15-3-2-10-26-15)13-27-18(23)14-5-8-21(9-6-14)28(24,25)16-4-1-7-19-12-16/h1-4,7,10,12,14H,5-6,8-9,11,13H2,(H,20,22)