2-(3,5-dimethylphenoxy)ethyl 1-(phenylsulfonyl)piperidine-4-carboxylate

Systemtic Name: 2-(3,5-dimethylphenoxy)ethyl 1-(phenylsulfonyl)piperidine-4-carboxylate Openeye Name: 2-(3,5-dimethylphenoxy)ethyl 1-(benzenesulfonyl)piperidine-4-carboxylate CAS Name: 1-(benzenesulfonyl)-4-piperidinecarboxylic acid 2-(3,5-dimethylphenoxy)ethyl ester IUPAC Name: 2-(3,5-dimethylphenoxy)ethyl 1-(benzenesulfonyl)piperidine-4-carboxylate Traditional Name: 1-besylisonipecotic acid 2-(3,5-dimethylphenoxy)ethyl ester Formula: C22H27NO5S MolecularWeight: 417.51848

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OCCOC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3)C

Isomeric SMILES

CC1=CC(=CC(=C1)OCCOC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3)C

InChI

InChI=1S/C22H27NO5S/c1-17-14-18(2)16-20(15-17)27-12-13-28-22(24)19-8-10-23(11-9-19)29(25,26)21-6-4-3-5-7-21/h3-7,14-16,19H,8-13H2,1-2H3