[2-oxidanylidene-2-(3,4,5-trimethoxyphenyl)ethyl] 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate

Systemtic Name: [2-oxidanylidene-2-(3,4,5-trimethoxyphenyl)ethyl] 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate Openeye Name: [2-oxo-2-(3,4,5-trimethoxyphenyl)ethyl] 1-(2-thienylsulfonyl)piperidine-4-carboxylate CAS Name: 1-thiophen-2-ylsulfonyl-4-piperidinecarboxylic acid [2-oxo-2-(3,4,5-trimethoxyphenyl)ethyl] ester IUPAC Name: [2-oxo-2-(3,4,5-trimethoxyphenyl)ethyl] 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate Traditional Name: 1-(2-thienylsulfonyl)isonipecotic acid [2-keto-2-(3,4,5-trimethoxyphenyl)ethyl] ester Formula: C21H25NO8S2 MolecularWeight: 483.5551

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=O)COC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CS3

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)COC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CS3

InChI

InChI=1S/C21H25NO8S2/c1-27-17-11-15(12-18(28-2)20(17)29-3)16(23)13-30-21(24)14-6-8-22(9-7-14)32(25,26)19-5-4-10-31-19/h4-5,10-12,14H,6-9,13H2,1-3H3