ethyl 4-[(4-methoxyphenyl)methyl]-1-(3-methylphenyl)sulfonyl-piperidine-4-carboxylate

Systemtic Name: ethyl 4-[(4-methoxyphenyl)methyl]-1-(3-methylphenyl)sulfonyl-piperidine-4-carboxylate Openeye Name: ethyl 4-[(4-methoxyphenyl)methyl]-1-(m-tolylsulfonyl)piperidine-4-carboxylate CAS Name: 4-[(4-methoxyphenyl)methyl]-1-(3-methylphenyl)sulfonyl-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(4-methoxyphenyl)methyl]-1-(3-methylphenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-(m-tolylsulfonyl)-4-p-anisyl-isonipecotic acid ethyl ester Formula: C23H29NO5S MolecularWeight: 431.54506

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C)CC3=CC=C(C=C3)OC

Isomeric SMILES

CCOC(=O)C1(CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C)CC3=CC=C(C=C3)OC

InChI

InChI=1S/C23H29NO5S/c1-4-29-22(25)23(17-19-8-10-20(28-3)11-9-19)12-14-24(15-13-23)30(26,27)21-7-5-6-18(2)16-21/h5-11,16H,4,12-15,17H2,1-3H3