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

Systemtic Name: ethyl 1-[5-[(2-methylphenyl)sulfonylmethyl]furan-2-yl]carbonylpiperidine-3-carboxylate Openeye Name: ethyl 1-[5-(o-tolylsulfonylmethyl)furan-2-carbonyl]piperidine-3-carboxylate CAS Name: 1-[[5-[(2-methylphenyl)sulfonylmethyl]-2-furanyl]-oxomethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[5-[(2-methylphenyl)sulfonylmethyl]furan-2-carbonyl]piperidine-3-carboxylate Traditional Name: 1-[5-(o-tolylsulfonylmethyl)-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=CC=C3C

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C(=O)C2=CC=C(O2)CS(=O)(=O)C3=CC=CC=C3C

InChI

InChI=1S/C21H25NO6S/c1-3-27-21(24)16-8-6-12-22(13-16)20(23)18-11-10-17(28-18)14-29(25,26)19-9-5-4-7-15(19)2/h4-5,7,9-11,16H,3,6,8,12-14H2,1-2H3