(4-methoxycarbonylphenyl)methyl 1-(phenylsulfonyl)piperidine-4-carboxylate

Systemtic Name: (4-methoxycarbonylphenyl)methyl 1-(phenylsulfonyl)piperidine-4-carboxylate Openeye Name: (4-methoxycarbonylphenyl)methyl 1-(benzenesulfonyl)piperidine-4-carboxylate CAS Name: 1-(benzenesulfonyl)-4-piperidinecarboxylic acid (4-methoxycarbonylphenyl)methyl ester IUPAC Name: (4-methoxycarbonylphenyl)methyl 1-(benzenesulfonyl)piperidine-4-carboxylate Traditional Name: 1-besylisonipecotic acid (4-carbomethoxybenzyl) ester Formula: C21H23NO6S MolecularWeight: 417.47542

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23NO6S/c1-27-20(23)17-9-7-16(8-10-17)15-28-21(24)18-11-13-22(14-12-18)29(25,26)19-5-3-2-4-6-19/h2-10,18H,11-15H2,1H3