ethyl 4-[(4-phenoxyphenyl)sulfonylmethyl]piperidine-4-carboxylate

Systemtic Name: ethyl 4-[(4-phenoxyphenyl)sulfonylmethyl]piperidine-4-carboxylate Openeye Name: ethyl 4-[(4-phenoxyphenyl)sulfonylmethyl]piperidine-4-carboxylate CAS Name: 4-[(4-phenoxyphenyl)sulfonylmethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(4-phenoxyphenyl)sulfonylmethyl]piperidine-4-carboxylate Traditional Name: 4-[(4-phenoxyphenyl)sulfonylmethyl]isonipecotic acid ethyl ester Formula: C21H25NO5S MolecularWeight: 403.4919

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCNCC1)CS(=O)(=O)C2=CC=C(C=C2)OC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1(CCNCC1)CS(=O)(=O)C2=CC=C(C=C2)OC3=CC=CC=C3

InChI

InChI=1S/C21H25NO5S/c1-2-26-20(23)21(12-14-22-15-13-21)16-28(24,25)19-10-8-18(9-11-19)27-17-6-4-3-5-7-17/h3-11,22H,2,12-16H2,1H3