2-[5-(azepan-1-ylsulfonyl)pyridin-2-yl]sulfanyl-N-(6-ethanoyl-1,3-benzodioxol-5-yl)ethanamide

Systemtic Name: 2-[5-(azepan-1-ylsulfonyl)pyridin-2-yl]sulfanyl-N-(6-ethanoyl-1,3-benzodioxol-5-yl)ethanamide Openeye Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[[5-(azepan-1-ylsulfonyl)-2-pyridyl]sulfanyl]acetamide CAS Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[[5-(1-azepanylsulfonyl)-2-pyridinyl]thio]acetamide IUPAC Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[5-(azepan-1-ylsulfonyl)pyridin-2-yl]sulfanylacetamide Traditional Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[[5-(azepan-1-ylsulfonyl)-2-pyridyl]thio]acetamide Formula: C22H25N3O6S2 MolecularWeight: 491.5804

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC2=C(C=C1NC(=O)CSC3=NC=C(C=C3)S(=O)(=O)N4CCCCCC4)OCO2

Isomeric SMILES

CC(=O)C1=CC2=C(C=C1NC(=O)CSC3=NC=C(C=C3)S(=O)(=O)N4CCCCCC4)OCO2

InChI

InChI=1S/C22H25N3O6S2/c1-15(26)17-10-19-20(31-14-30-19)11-18(17)24-21(27)13-32-22-7-6-16(12-23-22)33(28,29)25-8-4-2-3-5-9-25/h6-7,10-12H,2-5,8-9,13-14H2,1H3,(H,24,27)