[2-oxidanylidene-2-(4-propan-2-ylphenyl)ethyl] 1-(phenylsulfonyl)piperidine-4-carboxylate

Systemtic Name: [2-oxidanylidene-2-(4-propan-2-ylphenyl)ethyl] 1-(phenylsulfonyl)piperidine-4-carboxylate Openeye Name: [2-(4-isopropylphenyl)-2-oxo-ethyl] 1-(benzenesulfonyl)piperidine-4-carboxylate CAS Name: 1-(benzenesulfonyl)-4-piperidinecarboxylic acid [2-oxo-2-(4-propan-2-ylphenyl)ethyl] ester IUPAC Name: [2-oxo-2-(4-propan-2-ylphenyl)ethyl] 1-(benzenesulfonyl)piperidine-4-carboxylate Traditional Name: 1-besylisonipecotic acid (2-keto-2-p-cumenyl-ethyl) ester Formula: C23H27NO5S MolecularWeight: 429.52918

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C(=O)COC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C(=O)COC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C23H27NO5S/c1-17(2)18-8-10-19(11-9-18)22(25)16-29-23(26)20-12-14-24(15-13-20)30(27,28)21-6-4-3-5-7-21/h3-11,17,20H,12-16H2,1-2H3