2-(3-methylphenoxy)ethyl 1-(phenylsulfonyl)piperidine-4-carboxylate

Systemtic Name: 2-(3-methylphenoxy)ethyl 1-(phenylsulfonyl)piperidine-4-carboxylate Openeye Name: 2-(3-methylphenoxy)ethyl 1-(benzenesulfonyl)piperidine-4-carboxylate CAS Name: 1-(benzenesulfonyl)-4-piperidinecarboxylic acid 2-(3-methylphenoxy)ethyl ester IUPAC Name: 2-(3-methylphenoxy)ethyl 1-(benzenesulfonyl)piperidine-4-carboxylate Traditional Name: 1-besylisonipecotic acid 2-(3-methylphenoxy)ethyl ester Formula: C21H25NO5S MolecularWeight: 403.4919

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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

Isomeric SMILES

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

InChI

InChI=1S/C21H25NO5S/c1-17-6-5-7-19(16-17)26-14-15-27-21(23)18-10-12-22(13-11-18)28(24,25)20-8-3-2-4-9-20/h2-9,16,18H,10-15H2,1H3