(5-chloranyl-2-methoxy-phenyl)methyl 1-(phenylsulfonyl)piperidine-4-carboxylate

Systemtic Name: (5-chloranyl-2-methoxy-phenyl)methyl 1-(phenylsulfonyl)piperidine-4-carboxylate Openeye Name: (5-chloro-2-methoxy-phenyl)methyl 1-(benzenesulfonyl)piperidine-4-carboxylate CAS Name: 1-(benzenesulfonyl)-4-piperidinecarboxylic acid (5-chloro-2-methoxyphenyl)methyl ester IUPAC Name: (5-chloro-2-methoxyphenyl)methyl 1-(benzenesulfonyl)piperidine-4-carboxylate Traditional Name: 1-besylisonipecotic acid (5-chloro-2-methoxy-benzyl) ester Formula: C20H22ClNO5S MolecularWeight: 423.91038

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)COC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)COC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C20H22ClNO5S/c1-26-19-8-7-17(21)13-16(19)14-27-20(23)15-9-11-22(12-10-15)28(24,25)18-5-3-2-4-6-18/h2-8,13,15H,9-12,14H2,1H3