ethyl 1-(4-methoxyphenyl)sulfonyl-3-(phenylmethyl)piperidine-3-carboxylate

Systemtic Name: ethyl 1-(4-methoxyphenyl)sulfonyl-3-(phenylmethyl)piperidine-3-carboxylate Openeye Name: ethyl 3-benzyl-1-(4-methoxyphenyl)sulfonyl-piperidine-3-carboxylate CAS Name: 1-(4-methoxyphenyl)sulfonyl-3-(phenylmethyl)-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-benzyl-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxylate Traditional Name: 3-benzyl-1-(4-methoxyphenyl)sulfonyl-nipecotic acid ethyl ester Formula: C22H27NO5S MolecularWeight: 417.51848

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)OC)CC3=CC=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C22H27NO5S/c1-3-28-21(24)22(16-18-8-5-4-6-9-18)14-7-15-23(17-22)29(25,26)20-12-10-19(27-2)11-13-20/h4-6,8-13H,3,7,14-17H2,1-2H3