ethyl 1-[5-[(4-methylphenyl)sulfonylmethyl]furan-2-yl]carbonylpiperidine-3-carboxylate

Systemtic Name: ethyl 1-[5-[(4-methylphenyl)sulfonylmethyl]furan-2-yl]carbonylpiperidine-3-carboxylate Openeye Name: ethyl 1-[5-(p-tolylsulfonylmethyl)furan-2-carbonyl]piperidine-3-carboxylate CAS Name: 1-[[5-[(4-methylphenyl)sulfonylmethyl]-2-furanyl]-oxomethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[5-[(4-methylphenyl)sulfonylmethyl]furan-2-carbonyl]piperidine-3-carboxylate Traditional Name: 1-[5-(tosylmethyl)-2-furoyl]nipecotic acid ethyl ester Formula: C21H25NO6S MolecularWeight: 419.4913

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=O)C2=CC=C(O2)CS(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C(=O)C2=CC=C(O2)CS(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C21H25NO6S/c1-3-27-21(24)16-5-4-12-22(13-16)20(23)19-11-8-17(28-19)14-29(25,26)18-9-6-15(2)7-10-18/h6-11,16H,3-5,12-14H2,1-2H3