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

Systemtic Name: 2-[5-(azepan-1-ylsulfonyl)pyridin-2-yl]sulfanyl-N-(2-ethanoyl-1-benzofuran-3-yl)ethanamide Openeye Name: N-(2-acetylbenzofuran-3-yl)-2-[[5-(azepan-1-ylsulfonyl)-2-pyridyl]sulfanyl]acetamide CAS Name: N-(2-acetyl-3-benzofuranyl)-2-[[5-(1-azepanylsulfonyl)-2-pyridinyl]thio]acetamide IUPAC Name: N-(2-acetyl-1-benzofuran-3-yl)-2-[5-(azepan-1-ylsulfonyl)pyridin-2-yl]sulfanylacetamide Traditional Name: N-(2-acetylbenzofuran-3-yl)-2-[[5-(azepan-1-ylsulfonyl)-2-pyridyl]thio]acetamide Formula: C23H25N3O5S2 MolecularWeight: 487.5917

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C(C2=CC=CC=C2O1)NC(=O)CSC3=NC=C(C=C3)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

CC(=O)C1=C(C2=CC=CC=C2O1)NC(=O)CSC3=NC=C(C=C3)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C23H25N3O5S2/c1-16(27)23-22(18-8-4-5-9-19(18)31-23)25-20(28)15-32-21-11-10-17(14-24-21)33(29,30)26-12-6-2-3-7-13-26/h4-5,8-11,14H,2-3,6-7,12-13,15H2,1H3,(H,25,28)