(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl 1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxylate

Systemtic Name: (2-thiophen-2-yl-1,3-thiazol-4-yl)methyl 1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxylate Openeye Name: [2-(2-thienyl)thiazol-4-yl]methyl 1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxylate CAS Name: 1-(4-methoxyphenyl)sulfonyl-3-piperidinecarboxylic acid (2-thiophen-2-yl-4-thiazolyl)methyl ester IUPAC Name: (2-thiophen-2-yl-1,3-thiazol-4-yl)methyl 1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxylate Traditional Name: 1-(4-methoxyphenyl)sulfonylnipecotic acid [2-(2-thienyl)thiazol-4-yl]methyl ester Formula: C21H22N2O5S3 MolecularWeight: 478.60478

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)N2CCCC(C2)C(=O)OCC3=CSC(=N3)C4=CC=CS4

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N2CCCC(C2)C(=O)OCC3=CSC(=N3)C4=CC=CS4

InChI

InChI=1S/C21H22N2O5S3/c1-27-17-6-8-18(9-7-17)31(25,26)23-10-2-4-15(12-23)21(24)28-13-16-14-30-20(22-16)19-5-3-11-29-19/h3,5-9,11,14-15H,2,4,10,12-13H2,1H3