2-(2,6-dimethylphenoxy)ethyl 1-(phenylsulfonyl)piperidine-4-carboxylate

Systemtic Name: 2-(2,6-dimethylphenoxy)ethyl 1-(phenylsulfonyl)piperidine-4-carboxylate Openeye Name: 2-(2,6-dimethylphenoxy)ethyl 1-(benzenesulfonyl)piperidine-4-carboxylate CAS Name: 1-(benzenesulfonyl)-4-piperidinecarboxylic acid 2-(2,6-dimethylphenoxy)ethyl ester IUPAC Name: 2-(2,6-dimethylphenoxy)ethyl 1-(benzenesulfonyl)piperidine-4-carboxylate Traditional Name: 1-besylisonipecotic acid 2-(2,6-dimethylphenoxy)ethyl ester Formula: C22H27NO5S MolecularWeight: 417.51848

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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