2-(4-bromanylphenoxy)ethyl 1-(phenylsulfonyl)piperidine-4-carboxylate

Systemtic Name: 2-(4-bromanylphenoxy)ethyl 1-(phenylsulfonyl)piperidine-4-carboxylate Openeye Name: 2-(4-bromophenoxy)ethyl 1-(benzenesulfonyl)piperidine-4-carboxylate CAS Name: 1-(benzenesulfonyl)-4-piperidinecarboxylic acid 2-(4-bromophenoxy)ethyl ester IUPAC Name: 2-(4-bromophenoxy)ethyl 1-(benzenesulfonyl)piperidine-4-carboxylate Traditional Name: 1-besylisonipecotic acid 2-(4-bromophenoxy)ethyl ester Formula: C20H22BrNO5S MolecularWeight: 468.36138

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)OCCOC2=CC=C(C=C2)Br)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

C1CN(CCC1C(=O)OCCOC2=CC=C(C=C2)Br)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C20H22BrNO5S/c21-17-6-8-18(9-7-17)26-14-15-27-20(23)16-10-12-22(13-11-16)28(24,25)19-4-2-1-3-5-19/h1-9,16H,10-15H2