2-(3,4-dimethoxyphenyl)-N-(6-pyrrolidin-1-ylsulfonyl-1,3-benzothiazol-2-yl)ethanamide

Systemtic Name: 2-(3,4-dimethoxyphenyl)-N-(6-pyrrolidin-1-ylsulfonyl-1,3-benzothiazol-2-yl)ethanamide Openeye Name: 2-(3,4-dimethoxyphenyl)-N-(6-pyrrolidin-1-ylsulfonyl-1,3-benzothiazol-2-yl)acetamide CAS Name: 2-(3,4-dimethoxyphenyl)-N-[6-(1-pyrrolidinylsulfonyl)-1,3-benzothiazol-2-yl]acetamide IUPAC Name: 2-(3,4-dimethoxyphenyl)-N-(6-pyrrolidin-1-ylsulfonyl-1,3-benzothiazol-2-yl)acetamide Traditional Name: 2-(3,4-dimethoxyphenyl)-N-(6-pyrrolidinosulfonyl-1,3-benzothiazol-2-yl)acetamide Formula: C21H23N3O5S2 MolecularWeight: 461.55442

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CC(=O)NC2=NC3=C(S2)C=C(C=C3)S(=O)(=O)N4CCCC4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CC(=O)NC2=NC3=C(S2)C=C(C=C3)S(=O)(=O)N4CCCC4)OC

InChI

InChI=1S/C21H23N3O5S2/c1-28-17-8-5-14(11-18(17)29-2)12-20(25)23-21-22-16-7-6-15(13-19(16)30-21)31(26,27)24-9-3-4-10-24/h5-8,11,13H,3-4,9-10,12H2,1-2H3,(H,22,23,25)