[2-oxidanylidene-2-(2,4,5-trimethylphenyl)ethyl] 1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxylate

Systemtic Name: [2-oxidanylidene-2-(2,4,5-trimethylphenyl)ethyl] 1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxylate Openeye Name: [2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 1-(4-isopropylphenyl)sulfonylpiperidine-4-carboxylate CAS Name: 1-(4-propan-2-ylphenyl)sulfonyl-4-piperidinecarboxylic acid [2-oxo-2-(2,4,5-trimethylphenyl)ethyl] ester IUPAC Name: [2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-p-cumenylsulfonylisonipecotic acid [2-keto-2-(2,4,5-trimethylphenyl)ethyl] ester Formula: C26H33NO5S MolecularWeight: 471.60892

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H33NO5S/c1-17(2)21-6-8-23(9-7-21)33(30,31)27-12-10-22(11-13-27)26(29)32-16-25(28)24-15-19(4)18(3)14-20(24)5/h6-9,14-15,17,22H,10-13,16H2,1-5H3