[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl 1-methylsulfonylpiperidine-4-carboxylate

Systemtic Name: [2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl 1-methylsulfonylpiperidine-4-carboxylate Openeye Name: [2-(3,4-dimethoxyphenyl)thiazol-4-yl]methyl 1-methylsulfonylpiperidine-4-carboxylate CAS Name: 1-methylsulfonyl-4-piperidinecarboxylic acid [2-(3,4-dimethoxyphenyl)-4-thiazolyl]methyl ester IUPAC Name: [2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl 1-methylsulfonylpiperidine-4-carboxylate Traditional Name: 1-mesylisonipecotic acid [2-(3,4-dimethoxyphenyl)thiazol-4-yl]methyl ester Formula: C19H24N2O6S2 MolecularWeight: 440.53366

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NC(=CS2)COC(=O)C3CCN(CC3)S(=O)(=O)C)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NC(=CS2)COC(=O)C3CCN(CC3)S(=O)(=O)C)OC

InChI

InChI=1S/C19H24N2O6S2/c1-25-16-5-4-14(10-17(16)26-2)18-20-15(12-28-18)11-27-19(22)13-6-8-21(9-7-13)29(3,23)24/h4-5,10,12-13H,6-9,11H2,1-3H3