N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-(5-pyrrolidin-1-ylcarbonylpyridin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-(5-pyrrolidin-1-ylcarbonylpyridin-2-yl)sulfanyl-ethanamide Openeye Name: N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-[[5-(pyrrolidine-1-carbonyl)-2-pyridyl]sulfanyl]acetamide CAS Name: N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-[[5-[oxo(1-pyrrolidinyl)methyl]-2-pyridinyl]thio]acetamide IUPAC Name: N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-[5-(pyrrolidine-1-carbonyl)pyridin-2-yl]sulfanylacetamide Traditional Name: N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-[[5-(pyrrolidine-1-carbonyl)-2-pyridyl]thio]acetamide Formula: C22H25N3O4S MolecularWeight: 427.5166

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC2=C(C=C1)OCCO2)NC(=O)CSC3=NC=C(C=C3)C(=O)N4CCCC4

Isomeric SMILES

CC(C1=CC2=C(C=C1)OCCO2)NC(=O)CSC3=NC=C(C=C3)C(=O)N4CCCC4

InChI

InChI=1S/C22H25N3O4S/c1-15(16-4-6-18-19(12-16)29-11-10-28-18)24-20(26)14-30-21-7-5-17(13-23-21)22(27)25-8-2-3-9-25/h4-7,12-13,15H,2-3,8-11,14H2,1H3,(H,24,26)