ethyl 1-(2,5-dimethylthiophen-3-yl)sulfonyl-4-[(4-methoxyphenyl)methyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-(2,5-dimethylthiophen-3-yl)sulfonyl-4-[(4-methoxyphenyl)methyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[(2,5-dimethyl-3-thienyl)sulfonyl]-4-[(4-methoxyphenyl)methyl]piperidine-4-carboxylate CAS Name: 1-[(2,5-dimethyl-3-thiophenyl)sulfonyl]-4-[(4-methoxyphenyl)methyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(2,5-dimethylthiophen-3-yl)sulfonyl-4-[(4-methoxyphenyl)methyl]piperidine-4-carboxylate Traditional Name: 1-[(2,5-dimethyl-3-thienyl)sulfonyl]-4-p-anisyl-isonipecotic acid ethyl ester Formula: C22H29NO5S2 MolecularWeight: 451.59936

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29NO5S2/c1-5-28-21(24)22(15-18-6-8-19(27-4)9-7-18)10-12-23(13-11-22)30(25,26)20-14-16(2)29-17(20)3/h6-9,14H,5,10-13,15H2,1-4H3