N-(2,4-dimethoxyphenyl)-2-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(2,4-dimethoxyphenyl)-2-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanyl-ethanamide Openeye Name: N-(2,4-dimethoxyphenyl)-2-[(5-pyrrolidin-1-ylsulfonyl-2-pyridyl)sulfanyl]acetamide CAS Name: N-(2,4-dimethoxyphenyl)-2-[[5-(1-pyrrolidinylsulfonyl)-2-pyridinyl]thio]acetamide IUPAC Name: N-(2,4-dimethoxyphenyl)-2-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanylacetamide Traditional Name: N-(2,4-dimethoxyphenyl)-2-[(5-pyrrolidinosulfonyl-2-pyridyl)thio]acetamide Formula: C19H23N3O5S2 MolecularWeight: 437.53302

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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