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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)C(=O)COC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CCCC1=CC=C(C=C1)C(=O)COC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

InChI

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