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

Systemtic Name: (2,3,6-trimethylphenyl) 1-(3-ethanoylphenyl)sulfonylpiperidine-4-carboxylate Openeye Name: (2,3,6-trimethylphenyl) 1-(3-acetylphenyl)sulfonylpiperidine-4-carboxylate CAS Name: 1-(3-acetylphenyl)sulfonyl-4-piperidinecarboxylic acid (2,3,6-trimethylphenyl) ester IUPAC Name: (2,3,6-trimethylphenyl) 1-(3-acetylphenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-(3-acetylphenyl)sulfonylisonipecotic acid (2,3,6-trimethylphenyl) ester Formula: C23H27NO5S MolecularWeight: 429.52918

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1)C)OC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)C(=O)C)C

Isomeric SMILES

CC1=C(C(=C(C=C1)C)OC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)C(=O)C)C

InChI

InChI=1S/C23H27NO5S/c1-15-8-9-16(2)22(17(15)3)29-23(26)19-10-12-24(13-11-19)30(27,28)21-7-5-6-20(14-21)18(4)25/h5-9,14,19H,10-13H2,1-4H3