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

Systemtic Name: (4-methoxycarbonylphenyl)methyl 4-phenyl-1-(phenylsulfonyl)piperidine-4-carboxylate Openeye Name: (4-methoxycarbonylphenyl)methyl 1-(benzenesulfonyl)-4-phenyl-piperidine-4-carboxylate CAS Name: 1-(benzenesulfonyl)-4-phenyl-4-piperidinecarboxylic acid (4-methoxycarbonylphenyl)methyl ester IUPAC Name: (4-methoxycarbonylphenyl)methyl 1-(benzenesulfonyl)-4-phenylpiperidine-4-carboxylate Traditional Name: 1-besyl-4-phenyl-isonipecotic acid (4-carbomethoxybenzyl) ester Formula: C27H27NO6S MolecularWeight: 493.57138

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)COC(=O)C2(CCN(CC2)S(=O)(=O)C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)COC(=O)C2(CCN(CC2)S(=O)(=O)C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C27H27NO6S/c1-33-25(29)22-14-12-21(13-15-22)20-34-26(30)27(23-8-4-2-5-9-23)16-18-28(19-17-27)35(31,32)24-10-6-3-7-11-24/h2-15H,16-20H2,1H3