[2-oxidanylidene-2-(2,3,4,5-tetramethylphenyl)ethyl] 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate

Systemtic Name: [2-oxidanylidene-2-(2,3,4,5-tetramethylphenyl)ethyl] 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate Openeye Name: [2-oxo-2-(2,3,4,5-tetramethylphenyl)ethyl] 1-(2-thienylsulfonyl)piperidine-4-carboxylate CAS Name: 1-thiophen-2-ylsulfonyl-4-piperidinecarboxylic acid [2-oxo-2-(2,3,4,5-tetramethylphenyl)ethyl] ester IUPAC Name: [2-oxo-2-(2,3,4,5-tetramethylphenyl)ethyl] 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate Traditional Name: 1-(2-thienylsulfonyl)isonipecotic acid [2-keto-2-(2,3,4,5-tetramethylphenyl)ethyl] ester Formula: C22H27NO5S2 MolecularWeight: 449.58348

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C(=C1)C(=O)COC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CS3)C)C)C

Isomeric SMILES

CC1=C(C(=C(C(=C1)C(=O)COC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CS3)C)C)C

InChI

InChI=1S/C22H27NO5S2/c1-14-12-19(17(4)16(3)15(14)2)20(24)13-28-22(25)18-7-9-23(10-8-18)30(26,27)21-6-5-11-29-21/h5-6,11-12,18H,7-10,13H2,1-4H3