ethyl 3-[(3-methoxyphenyl)methyl]-1-thiophen-2-ylsulfonyl-piperidine-3-carboxylate

Systemtic Name: ethyl 3-[(3-methoxyphenyl)methyl]-1-thiophen-2-ylsulfonyl-piperidine-3-carboxylate Openeye Name: ethyl 3-[(3-methoxyphenyl)methyl]-1-(2-thienylsulfonyl)piperidine-3-carboxylate CAS Name: 3-[(3-methoxyphenyl)methyl]-1-thiophen-2-ylsulfonyl-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-[(3-methoxyphenyl)methyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxylate Traditional Name: 3-m-anisyl-1-(2-thienylsulfonyl)nipecotic acid ethyl ester Formula: C20H25NO5S2 MolecularWeight: 423.5462

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCCN(C1)S(=O)(=O)C2=CC=CS2)CC3=CC(=CC=C3)OC

Isomeric SMILES

CCOC(=O)C1(CCCN(C1)S(=O)(=O)C2=CC=CS2)CC3=CC(=CC=C3)OC

InChI

InChI=1S/C20H25NO5S2/c1-3-26-19(22)20(14-16-7-4-8-17(13-16)25-2)10-6-11-21(15-20)28(23,24)18-9-5-12-27-18/h4-5,7-9,12-13H,3,6,10-11,14-15H2,1-2H3