ethyl (3R)-1-(4-ethanoylphenyl)sulfonyl-3-(phenylmethyl)piperidine-3-carboxylate

Systemtic Name: ethyl (3R)-1-(4-ethanoylphenyl)sulfonyl-3-(phenylmethyl)piperidine-3-carboxylate Openeye Name: ethyl (3R)-1-(4-acetylphenyl)sulfonyl-3-benzyl-piperidine-3-carboxylate CAS Name: (3R)-1-(4-acetylphenyl)sulfonyl-3-(phenylmethyl)-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3R)-1-(4-acetylphenyl)sulfonyl-3-benzylpiperidine-3-carboxylate Traditional Name: (3R)-1-(4-acetylphenyl)sulfonyl-3-benzyl-nipecotic acid ethyl ester Formula: C23H27NO5S MolecularWeight: 429.52918

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)C)CC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)[C@]1(CCCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)C)CC3=CC=CC=C3

InChI

InChI=1S/C23H27NO5S/c1-3-29-22(26)23(16-19-8-5-4-6-9-19)14-7-15-24(17-23)30(27,28)21-12-10-20(11-13-21)18(2)25/h4-6,8-13H,3,7,14-17H2,1-2H3/t23-/m1/s1