ethyl 4-(2-methoxyphenyl)-1-(4-methylphenyl)sulfonyl-piperidine-4-carboxylate

Systemtic Name: ethyl 4-(2-methoxyphenyl)-1-(4-methylphenyl)sulfonyl-piperidine-4-carboxylate Openeye Name: ethyl 4-(2-methoxyphenyl)-1-(p-tolylsulfonyl)piperidine-4-carboxylate CAS Name: 4-(2-methoxyphenyl)-1-(4-methylphenyl)sulfonyl-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(2-methoxyphenyl)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 4-(2-methoxyphenyl)-1-tosyl-isonipecotic acid ethyl ester Formula: C22H27NO5S MolecularWeight: 417.51848

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C)C3=CC=CC=C3OC

Isomeric SMILES

CCOC(=O)C1(CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C)C3=CC=CC=C3OC

InChI

InChI=1S/C22H27NO5S/c1-4-28-21(24)22(19-7-5-6-8-20(19)27-3)13-15-23(16-14-22)29(25,26)18-11-9-17(2)10-12-18/h5-12H,4,13-16H2,1-3H3