ethyl (3S)-1-ethylsulfonyl-3-[(2-methylphenyl)methyl]piperidine-3-carboxylate

Systemtic Name: ethyl (3S)-1-ethylsulfonyl-3-[(2-methylphenyl)methyl]piperidine-3-carboxylate Openeye Name: ethyl (3S)-1-ethylsulfonyl-3-(o-tolylmethyl)piperidine-3-carboxylate CAS Name: (3S)-1-ethylsulfonyl-3-[(2-methylphenyl)methyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-ethylsulfonyl-3-[(2-methylphenyl)methyl]piperidine-3-carboxylate Traditional Name: (3S)-1-esyl-3-(2-methylbenzyl)nipecotic acid ethyl ester Formula: C18H27NO4S MolecularWeight: 353.47628

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCCN(C1)S(=O)(=O)CC)CC2=CC=CC=C2C

Isomeric SMILES

CCOC(=O)[C@@]1(CCCN(C1)S(=O)(=O)CC)CC2=CC=CC=C2C

InChI

InChI=1S/C18H27NO4S/c1-4-23-17(20)18(13-16-10-7-6-9-15(16)3)11-8-12-19(14-18)24(21,22)5-2/h6-7,9-10H,4-5,8,11-14H2,1-3H3/t18-/m0/s1