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

Systemtic Name: ethyl 1-(2,4-dimethylphenyl)sulfonyl-4-[[(2R)-oxan-2-yl]methyl]piperidine-4-carboxylate Openeye Name: ethyl 1-(2,4-dimethylphenyl)sulfonyl-4-[[(2R)-tetrahydropyran-2-yl]methyl]piperidine-4-carboxylate CAS Name: 1-(2,4-dimethylphenyl)sulfonyl-4-[[(2R)-2-oxanyl]methyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(2,4-dimethylphenyl)sulfonyl-4-[[(2R)-oxan-2-yl]methyl]piperidine-4-carboxylate Traditional Name: 1-(2,4-dimethylphenyl)sulfonyl-4-[[(2R)-tetrahydropyran-2-yl]methyl]isonipecotic acid ethyl ester Formula: C22H33NO5S MolecularWeight: 423.56612

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCN(CC1)S(=O)(=O)C2=C(C=C(C=C2)C)C)CC3CCCCO3

Isomeric SMILES

CCOC(=O)C1(CCN(CC1)S(=O)(=O)C2=C(C=C(C=C2)C)C)C[C@H]3CCCCO3

InChI

InChI=1S/C22H33NO5S/c1-4-27-21(24)22(16-19-7-5-6-14-28-19)10-12-23(13-11-22)29(25,26)20-9-8-17(2)15-18(20)3/h8-9,15,19H,4-7,10-14,16H2,1-3H3/t19-/m1/s1