(3,5-dimethylphenyl)methyl 1-(4-ethanoylphenyl)sulfonylpiperidine-2-carboxylate

Systemtic Name: (3,5-dimethylphenyl)methyl 1-(4-ethanoylphenyl)sulfonylpiperidine-2-carboxylate Openeye Name: (3,5-dimethylphenyl)methyl 1-(4-acetylphenyl)sulfonylpiperidine-2-carboxylate CAS Name: 1-(4-acetylphenyl)sulfonyl-2-piperidinecarboxylic acid (3,5-dimethylphenyl)methyl ester IUPAC Name: (3,5-dimethylphenyl)methyl 1-(4-acetylphenyl)sulfonylpiperidine-2-carboxylate Traditional Name: 1-(4-acetylphenyl)sulfonylpipecolinic acid (3,5-dimethylbenzyl) ester Formula: C23H27NO5S MolecularWeight: 429.52918

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)COC(=O)C2CCCCN2S(=O)(=O)C3=CC=C(C=C3)C(=O)C)C

Isomeric SMILES

CC1=CC(=CC(=C1)COC(=O)C2CCCCN2S(=O)(=O)C3=CC=C(C=C3)C(=O)C)C

InChI

InChI=1S/C23H27NO5S/c1-16-12-17(2)14-19(13-16)15-29-23(26)22-6-4-5-11-24(22)30(27,28)21-9-7-20(8-10-21)18(3)25/h7-10,12-14,22H,4-6,11,15H2,1-3H3