[2-oxidanylidene-2-(2,4,5-trimethylphenyl)ethyl] 1-(phenylsulfonyl)piperidine-4-carboxylate

Systemtic Name: [2-oxidanylidene-2-(2,4,5-trimethylphenyl)ethyl] 1-(phenylsulfonyl)piperidine-4-carboxylate Openeye Name: [2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 1-(benzenesulfonyl)piperidine-4-carboxylate CAS Name: 1-(benzenesulfonyl)-4-piperidinecarboxylic acid [2-oxo-2-(2,4,5-trimethylphenyl)ethyl] ester IUPAC Name: [2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 1-(benzenesulfonyl)piperidine-4-carboxylate Traditional Name: 1-besylisonipecotic acid [2-keto-2-(2,4,5-trimethylphenyl)ethyl] ester Formula: C23H27NO5S MolecularWeight: 429.52918

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C(=O)COC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3)C)C

Isomeric SMILES

CC1=CC(=C(C=C1C(=O)COC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3)C)C

InChI

InChI=1S/C23H27NO5S/c1-16-13-18(3)21(14-17(16)2)22(25)15-29-23(26)19-9-11-24(12-10-19)30(27,28)20-7-5-4-6-8-20/h4-8,13-14,19H,9-12,15H2,1-3H3