(2,6-dimethylphenyl) 1-(4-ethoxyphenyl)sulfonylpiperidine-4-carboxylate

Systemtic Name: (2,6-dimethylphenyl) 1-(4-ethoxyphenyl)sulfonylpiperidine-4-carboxylate Openeye Name: (2,6-dimethylphenyl) 1-(4-ethoxyphenyl)sulfonylpiperidine-4-carboxylate CAS Name: 1-(4-ethoxyphenyl)sulfonyl-4-piperidinecarboxylic acid (2,6-dimethylphenyl) ester IUPAC Name: (2,6-dimethylphenyl) 1-(4-ethoxyphenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-p-phenetylsulfonylisonipecotic acid (2,6-dimethylphenyl) ester Formula: C22H27NO5S MolecularWeight: 417.51848

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)OC3=C(C=CC=C3C)C

Isomeric SMILES

CCOC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)OC3=C(C=CC=C3C)C

InChI

InChI=1S/C22H27NO5S/c1-4-27-19-8-10-20(11-9-19)29(25,26)23-14-12-18(13-15-23)22(24)28-21-16(2)6-5-7-17(21)3/h5-11,18H,4,12-15H2,1-3H3