ethyl 1-phenethyl-4-[(4-phenoxyphenyl)sulfonylmethyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-phenethyl-4-[(4-phenoxyphenyl)sulfonylmethyl]piperidine-4-carboxylate Openeye Name: ethyl 1-phenethyl-4-[(4-phenoxyphenyl)sulfonylmethyl]piperidine-4-carboxylate CAS Name: 1-phenethyl-4-[(4-phenoxyphenyl)sulfonylmethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-phenethyl-4-[(4-phenoxyphenyl)sulfonylmethyl]piperidine-4-carboxylate Traditional Name: 1-phenethyl-4-[(4-phenoxyphenyl)sulfonylmethyl]isonipecotic acid ethyl ester Formula: C29H33NO5S MolecularWeight: 507.64102

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCN(CC1)CCC2=CC=CC=C2)CS(=O)(=O)C3=CC=C(C=C3)OC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1(CCN(CC1)CCC2=CC=CC=C2)CS(=O)(=O)C3=CC=C(C=C3)OC4=CC=CC=C4

InChI

InChI=1S/C29H33NO5S/c1-2-34-28(31)29(18-21-30(22-19-29)20-17-24-9-5-3-6-10-24)23-36(32,33)27-15-13-26(14-16-27)35-25-11-7-4-8-12-25/h3-16H,2,17-23H2,1H3