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

Systemtic Name: [2-(3,4-dimethylphenyl)-2-oxidanylidene-ethyl] 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate Openeye Name: [2-(3,4-dimethylphenyl)-2-oxo-ethyl] 1-(2-thienylsulfonyl)piperidine-4-carboxylate CAS Name: 1-thiophen-2-ylsulfonyl-4-piperidinecarboxylic acid [2-(3,4-dimethylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(3,4-dimethylphenyl)-2-oxoethyl] 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate Traditional Name: 1-(2-thienylsulfonyl)isonipecotic acid [2-(3,4-dimethylphenyl)-2-keto-ethyl] ester Formula: C20H23NO5S2 MolecularWeight: 421.53032

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23NO5S2/c1-14-5-6-17(12-15(14)2)18(22)13-26-20(23)16-7-9-21(10-8-16)28(24,25)19-4-3-11-27-19/h3-6,11-12,16H,7-10,13H2,1-2H3