methyl 3-[4-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]sulfonylthiophene-2-carboxylate

Systemtic Name: methyl 3-[4-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]sulfonylthiophene-2-carboxylate Openeye Name: methyl 3-[[4-[2-(4-methoxyphenyl)ethyl]-1-piperidyl]sulfonyl]thiophene-2-carboxylate CAS Name: 3-[[4-[2-(4-methoxyphenyl)ethyl]-1-piperidinyl]sulfonyl]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[4-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]sulfonylthiophene-2-carboxylate Traditional Name: 3-[4-[2-(4-methoxyphenyl)ethyl]piperidino]sulfonylthiophene-2-carboxylic acid methyl ester Formula: C20H25NO5S2 MolecularWeight: 423.5462

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CCC2CCN(CC2)S(=O)(=O)C3=C(SC=C3)C(=O)OC

Isomeric SMILES

COC1=CC=C(C=C1)CCC2CCN(CC2)S(=O)(=O)C3=C(SC=C3)C(=O)OC

InChI

InChI=1S/C20H25NO5S2/c1-25-17-7-5-15(6-8-17)3-4-16-9-12-21(13-10-16)28(23,24)18-11-14-27-19(18)20(22)26-2/h5-8,11,14,16H,3-4,9-10,12-13H2,1-2H3