N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-1-thiophen-2-ylsulfonyl-piperidine-3-carboxamide

Systemtic Name: N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-1-thiophen-2-ylsulfonyl-piperidine-3-carboxamide Openeye Name: N-[4-(3,4-dimethoxyphenyl)thiazol-2-yl]-1-(2-thienylsulfonyl)piperidine-3-carboxamide CAS Name: N-[4-(3,4-dimethoxyphenyl)-2-thiazolyl]-1-thiophen-2-ylsulfonyl-3-piperidinecarboxamide IUPAC Name: N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide Traditional Name: N-[4-(3,4-dimethoxyphenyl)thiazol-2-yl]-1-(2-thienylsulfonyl)nipecotamide Formula: C21H23N3O5S3 MolecularWeight: 493.61942

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=CSC(=N2)NC(=O)C3CCCN(C3)S(=O)(=O)C4=CC=CS4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=CSC(=N2)NC(=O)C3CCCN(C3)S(=O)(=O)C4=CC=CS4)OC

InChI

InChI=1S/C21H23N3O5S3/c1-28-17-8-7-14(11-18(17)29-2)16-13-31-21(22-16)23-20(25)15-5-3-9-24(12-15)32(26,27)19-6-4-10-30-19/h4,6-8,10-11,13,15H,3,5,9,12H2,1-2H3,(H,22,23,25)