[2-(3,5-dimethylpiperidin-1-yl)-2-oxidanylidene-ethyl] 5-(phenylsulfonylmethyl)furan-2-carboxylate

Systemtic Name: [2-(3,5-dimethylpiperidin-1-yl)-2-oxidanylidene-ethyl] 5-(phenylsulfonylmethyl)furan-2-carboxylate Openeye Name: [2-(3,5-dimethyl-1-piperidyl)-2-oxo-ethyl] 5-(benzenesulfonylmethyl)furan-2-carboxylate CAS Name: 5-(benzenesulfonylmethyl)-2-furancarboxylic acid [2-(3,5-dimethyl-1-piperidinyl)-2-oxoethyl] ester IUPAC Name: [2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl] 5-(benzenesulfonylmethyl)furan-2-carboxylate Traditional Name: 5-(besylmethyl)furan-2-carboxylic acid [2-(3,5-dimethylpiperidino)-2-keto-ethyl] ester Formula: C21H25NO6S MolecularWeight: 419.4913

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)C(=O)COC(=O)C2=CC=C(O2)CS(=O)(=O)C3=CC=CC=C3)C

Isomeric SMILES

CC1CC(CN(C1)C(=O)COC(=O)C2=CC=C(O2)CS(=O)(=O)C3=CC=CC=C3)C

InChI

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