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

Systemtic Name: ethyl 1-[5-[(2-methylphenyl)methylsulfonylmethyl]furan-2-yl]carbonylpiperidine-3-carboxylate Openeye Name: ethyl 1-[5-(o-tolylmethylsulfonylmethyl)furan-2-carbonyl]piperidine-3-carboxylate CAS Name: 1-[[5-[(2-methylphenyl)methylsulfonylmethyl]-2-furanyl]-oxomethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[5-[(2-methylphenyl)methylsulfonylmethyl]furan-2-carbonyl]piperidine-3-carboxylate Traditional Name: 1-[5-[(2-methylbenzyl)sulfonylmethyl]-2-furoyl]nipecotic acid ethyl ester Formula: C22H27NO6S MolecularWeight: 433.51788

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=O)C2=CC=C(O2)CS(=O)(=O)CC3=CC=CC=C3C

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C(=O)C2=CC=C(O2)CS(=O)(=O)CC3=CC=CC=C3C

InChI

InChI=1S/C22H27NO6S/c1-3-28-22(25)17-9-6-12-23(13-17)21(24)20-11-10-19(29-20)15-30(26,27)14-18-8-5-4-7-16(18)2/h4-5,7-8,10-11,17H,3,6,9,12-15H2,1-2H3