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

Systemtic Name: [1-oxidanylidene-1-(2,4,5-trimethylphenyl)propan-2-yl] 1-(phenylsulfonyl)piperidine-4-carboxylate Openeye Name: [1-methyl-2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 1-(benzenesulfonyl)piperidine-4-carboxylate CAS Name: 1-(benzenesulfonyl)-4-piperidinecarboxylic acid [1-oxo-1-(2,4,5-trimethylphenyl)propan-2-yl] ester IUPAC Name: [1-oxo-1-(2,4,5-trimethylphenyl)propan-2-yl] 1-(benzenesulfonyl)piperidine-4-carboxylate Traditional Name: 1-besylisonipecotic acid [2-keto-1-methyl-2-(2,4,5-trimethylphenyl)ethyl] ester Formula: C24H29NO5S MolecularWeight: 443.55576

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H29NO5S/c1-16-14-18(3)22(15-17(16)2)23(26)19(4)30-24(27)20-10-12-25(13-11-20)31(28,29)21-8-6-5-7-9-21/h5-9,14-15,19-20H,10-13H2,1-4H3