N-(3,5-dimethoxyphenyl)-2-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(3,5-dimethoxyphenyl)-2-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanyl-ethanamide Openeye Name: N-(3,5-dimethoxyphenyl)-2-[(5-pyrrolidin-1-ylsulfonyl-2-pyridyl)sulfanyl]acetamide CAS Name: N-(3,5-dimethoxyphenyl)-2-[[5-(1-pyrrolidinylsulfonyl)-2-pyridinyl]thio]acetamide IUPAC Name: N-(3,5-dimethoxyphenyl)-2-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanylacetamide Traditional Name: N-(3,5-dimethoxyphenyl)-2-[(5-pyrrolidinosulfonyl-2-pyridyl)thio]acetamide Formula: C19H23N3O5S2 MolecularWeight: 437.53302

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)NC(=O)CSC2=NC=C(C=C2)S(=O)(=O)N3CCCC3)OC

Isomeric SMILES

COC1=CC(=CC(=C1)NC(=O)CSC2=NC=C(C=C2)S(=O)(=O)N3CCCC3)OC

InChI

InChI=1S/C19H23N3O5S2/c1-26-15-9-14(10-16(11-15)27-2)21-18(23)13-28-19-6-5-17(12-20-19)29(24,25)22-7-3-4-8-22/h5-6,9-12H,3-4,7-8,13H2,1-2H3,(H,21,23)