(3-methoxycarbonylphenyl)methyl 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate

Systemtic Name: (3-methoxycarbonylphenyl)methyl 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate Openeye Name: (3-methoxycarbonylphenyl)methyl 1-(2-thienylsulfonyl)piperidine-4-carboxylate CAS Name: 1-thiophen-2-ylsulfonyl-4-piperidinecarboxylic acid (3-methoxycarbonylphenyl)methyl ester IUPAC Name: (3-methoxycarbonylphenyl)methyl 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate Traditional Name: 1-(2-thienylsulfonyl)isonipecotic acid (3-carbomethoxybenzyl) ester Formula: C19H21NO6S2 MolecularWeight: 423.50314

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)COC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CS3

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)COC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CS3

InChI

InChI=1S/C19H21NO6S2/c1-25-18(21)16-5-2-4-14(12-16)13-26-19(22)15-7-9-20(10-8-15)28(23,24)17-6-3-11-27-17/h2-6,11-12,15H,7-10,13H2,1H3