[2-(2-ethylpiperidin-1-yl)-2-oxidanylidene-ethyl] 3-(phenylsulfonylmethyl)furan-2-carboxylate

Systemtic Name: [2-(2-ethylpiperidin-1-yl)-2-oxidanylidene-ethyl] 3-(phenylsulfonylmethyl)furan-2-carboxylate Openeye Name: [2-(2-ethyl-1-piperidyl)-2-oxo-ethyl] 3-(benzenesulfonylmethyl)furan-2-carboxylate CAS Name: 3-(benzenesulfonylmethyl)-2-furancarboxylic acid [2-(2-ethyl-1-piperidinyl)-2-oxoethyl] ester IUPAC Name: [2-(2-ethylpiperidin-1-yl)-2-oxoethyl] 3-(benzenesulfonylmethyl)furan-2-carboxylate Traditional Name: 3-(besylmethyl)furan-2-carboxylic acid [2-(2-ethylpiperidino)-2-keto-ethyl] ester Formula: C21H25NO6S MolecularWeight: 419.4913

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCCN1C(=O)COC(=O)C2=C(C=CO2)CS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CCC1CCCCN1C(=O)COC(=O)C2=C(C=CO2)CS(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H25NO6S/c1-2-17-8-6-7-12-22(17)19(23)14-28-21(24)20-16(11-13-27-20)15-29(25,26)18-9-4-3-5-10-18/h3-5,9-11,13,17H,2,6-8,12,14-15H2,1H3