2-(3,5-dimethylphenoxy)ethyl 1-(4-methylphenyl)sulfonylpiperidine-4-carboxylate

Systemtic Name: 2-(3,5-dimethylphenoxy)ethyl 1-(4-methylphenyl)sulfonylpiperidine-4-carboxylate Openeye Name: 2-(3,5-dimethylphenoxy)ethyl 1-(p-tolylsulfonyl)piperidine-4-carboxylate CAS Name: 1-(4-methylphenyl)sulfonyl-4-piperidinecarboxylic acid 2-(3,5-dimethylphenoxy)ethyl ester IUPAC Name: 2-(3,5-dimethylphenoxy)ethyl 1-(4-methylphenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-tosylisonipecotic acid 2-(3,5-dimethylphenoxy)ethyl ester Formula: C23H29NO5S MolecularWeight: 431.54506

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)OCCOC3=CC(=CC(=C3)C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)OCCOC3=CC(=CC(=C3)C)C

InChI

InChI=1S/C23H29NO5S/c1-17-4-6-22(7-5-17)30(26,27)24-10-8-20(9-11-24)23(25)29-13-12-28-21-15-18(2)14-19(3)16-21/h4-7,14-16,20H,8-13H2,1-3H3