(3-methoxycarbonylphenyl)methyl 1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxylate

Systemtic Name: (3-methoxycarbonylphenyl)methyl 1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxylate Openeye Name: (3-methoxycarbonylphenyl)methyl 1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxylate CAS Name: 1-(4-methoxyphenyl)sulfonyl-4-piperidinecarboxylic acid (3-methoxycarbonylphenyl)methyl ester IUPAC Name: (3-methoxycarbonylphenyl)methyl 1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-(4-methoxyphenyl)sulfonylisonipecotic acid (3-carbomethoxybenzyl) ester Formula: C22H25NO7S MolecularWeight: 447.5014

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)OCC3=CC=CC(=C3)C(=O)OC

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)OCC3=CC=CC(=C3)C(=O)OC

InChI

InChI=1S/C22H25NO7S/c1-28-19-6-8-20(9-7-19)31(26,27)23-12-10-17(11-13-23)22(25)30-15-16-4-3-5-18(14-16)21(24)29-2/h3-9,14,17H,10-13,15H2,1-2H3