ethyl 1-(5-ethylthiophen-2-yl)sulfonyl-4-[[(2R)-oxan-2-yl]methyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-(5-ethylthiophen-2-yl)sulfonyl-4-[[(2R)-oxan-2-yl]methyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[(5-ethyl-2-thienyl)sulfonyl]-4-[[(2R)-tetrahydropyran-2-yl]methyl]piperidine-4-carboxylate CAS Name: 1-[(5-ethyl-2-thiophenyl)sulfonyl]-4-[[(2R)-2-oxanyl]methyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(5-ethylthiophen-2-yl)sulfonyl-4-[[(2R)-oxan-2-yl]methyl]piperidine-4-carboxylate Traditional Name: 1-[(5-ethyl-2-thienyl)sulfonyl]-4-[[(2R)-tetrahydropyran-2-yl]methyl]isonipecotic acid ethyl ester Formula: C20H31NO5S2 MolecularWeight: 429.59384

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(S1)S(=O)(=O)N2CCC(CC2)(CC3CCCCO3)C(=O)OCC

Isomeric SMILES

CCC1=CC=C(S1)S(=O)(=O)N2CCC(CC2)(C[C@H]3CCCCO3)C(=O)OCC

InChI

InChI=1S/C20H31NO5S2/c1-3-17-8-9-18(27-17)28(23,24)21-12-10-20(11-13-21,19(22)25-4-2)15-16-7-5-6-14-26-16/h8-9,16H,3-7,10-15H2,1-2H3/t16-/m1/s1