ethyl (3R)-3-[(2-methylphenyl)methyl]-1-pyridin-3-ylsulfonyl-piperidine-3-carboxylate

Systemtic Name: ethyl (3R)-3-[(2-methylphenyl)methyl]-1-pyridin-3-ylsulfonyl-piperidine-3-carboxylate Openeye Name: ethyl (3R)-3-(o-tolylmethyl)-1-(3-pyridylsulfonyl)piperidine-3-carboxylate CAS Name: (3R)-3-[(2-methylphenyl)methyl]-1-(3-pyridinylsulfonyl)-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3R)-3-[(2-methylphenyl)methyl]-1-pyridin-3-ylsulfonylpiperidine-3-carboxylate Traditional Name: (3R)-3-(2-methylbenzyl)-1-(3-pyridylsulfonyl)nipecotic acid ethyl ester Formula: C21H26N2O4S MolecularWeight: 402.50714

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCCN(C1)S(=O)(=O)C2=CN=CC=C2)CC3=CC=CC=C3C

Isomeric SMILES

CCOC(=O)[C@]1(CCCN(C1)S(=O)(=O)C2=CN=CC=C2)CC3=CC=CC=C3C

InChI

InChI=1S/C21H26N2O4S/c1-3-27-20(24)21(14-18-9-5-4-8-17(18)2)11-7-13-23(16-21)28(25,26)19-10-6-12-22-15-19/h4-6,8-10,12,15H,3,7,11,13-14,16H2,1-2H3/t21-/m1/s1