ethyl 1-[(3-methoxyphenyl)methyl]-4-[(4-phenoxyphenyl)sulfonylmethyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[(3-methoxyphenyl)methyl]-4-[(4-phenoxyphenyl)sulfonylmethyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[(3-methoxyphenyl)methyl]-4-[(4-phenoxyphenyl)sulfonylmethyl]piperidine-4-carboxylate CAS Name: 1-[(3-methoxyphenyl)methyl]-4-[(4-phenoxyphenyl)sulfonylmethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(3-methoxyphenyl)methyl]-4-[(4-phenoxyphenyl)sulfonylmethyl]piperidine-4-carboxylate Traditional Name: 1-m-anisyl-4-[(4-phenoxyphenyl)sulfonylmethyl]isonipecotic acid ethyl ester Formula: C29H33NO6S MolecularWeight: 523.64042

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCN(CC1)CC2=CC(=CC=C2)OC)CS(=O)(=O)C3=CC=C(C=C3)OC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1(CCN(CC1)CC2=CC(=CC=C2)OC)CS(=O)(=O)C3=CC=C(C=C3)OC4=CC=CC=C4

InChI

InChI=1S/C29H33NO6S/c1-3-35-28(31)29(16-18-30(19-17-29)21-23-8-7-11-26(20-23)34-2)22-37(32,33)27-14-12-25(13-15-27)36-24-9-5-4-6-10-24/h4-15,20H,3,16-19,21-22H2,1-2H3