(2,3,6-trimethylphenyl) 1-(4-ethoxyphenyl)sulfonylpiperidine-4-carboxylate

Systemtic Name: (2,3,6-trimethylphenyl) 1-(4-ethoxyphenyl)sulfonylpiperidine-4-carboxylate Openeye Name: (2,3,6-trimethylphenyl) 1-(4-ethoxyphenyl)sulfonylpiperidine-4-carboxylate CAS Name: 1-(4-ethoxyphenyl)sulfonyl-4-piperidinecarboxylic acid (2,3,6-trimethylphenyl) ester IUPAC Name: (2,3,6-trimethylphenyl) 1-(4-ethoxyphenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-p-phenetylsulfonylisonipecotic acid (2,3,6-trimethylphenyl) ester Formula: C23H29NO5S MolecularWeight: 431.54506

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C23H29NO5S/c1-5-28-20-8-10-21(11-9-20)30(26,27)24-14-12-19(13-15-24)23(25)29-22-17(3)7-6-16(2)18(22)4/h6-11,19H,5,12-15H2,1-4H3