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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCN(CC1)CC2=CC=C(C=C2)C)S(=O)(=O)C3=CC=C(C=C3)OC

Isomeric SMILES

CCOC(=O)C1(CCN(CC1)CC2=CC=C(C=C2)C)S(=O)(=O)C3=CC=C(C=C3)OC

InChI

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