ethyl 3-[(3-methoxyphenyl)methyl]-1-(4-methylthiophen-2-yl)sulfonyl-piperidine-3-carboxylate

Systemtic Name: ethyl 3-[(3-methoxyphenyl)methyl]-1-(4-methylthiophen-2-yl)sulfonyl-piperidine-3-carboxylate Openeye Name: ethyl 3-[(3-methoxyphenyl)methyl]-1-[(4-methyl-2-thienyl)sulfonyl]piperidine-3-carboxylate CAS Name: 3-[(3-methoxyphenyl)methyl]-1-[(4-methyl-2-thiophenyl)sulfonyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-[(3-methoxyphenyl)methyl]-1-(4-methylthiophen-2-yl)sulfonylpiperidine-3-carboxylate Traditional Name: 3-m-anisyl-1-[(4-methyl-2-thienyl)sulfonyl]nipecotic acid ethyl ester Formula: C21H27NO5S2 MolecularWeight: 437.57278

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27NO5S2/c1-4-27-20(23)21(13-17-7-5-8-18(12-17)26-3)9-6-10-22(15-21)29(24,25)19-11-16(2)14-28-19/h5,7-8,11-12,14H,4,6,9-10,13,15H2,1-3H3