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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCN(CC1)S(=O)(=O)C2=C(C=CS2)C)CC3=CC=C(C=C3)OC

Isomeric SMILES

CCOC(=O)C1(CCN(CC1)S(=O)(=O)C2=C(C=CS2)C)CC3=CC=C(C=C3)OC

InChI

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