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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCCN(C1)CC2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)OC

Isomeric SMILES

CCOC(=O)C1(CCCN(C1)CC2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)OC

InChI

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