2-[5-(azepan-1-ylsulfonyl)pyridin-2-yl]sulfanyl-N-(2-ethanoylphenyl)ethanamide

Systemtic Name: 2-[5-(azepan-1-ylsulfonyl)pyridin-2-yl]sulfanyl-N-(2-ethanoylphenyl)ethanamide Openeye Name: N-(2-acetylphenyl)-2-[[5-(azepan-1-ylsulfonyl)-2-pyridyl]sulfanyl]acetamide CAS Name: N-(2-acetylphenyl)-2-[[5-(1-azepanylsulfonyl)-2-pyridinyl]thio]acetamide IUPAC Name: N-(2-acetylphenyl)-2-[5-(azepan-1-ylsulfonyl)pyridin-2-yl]sulfanylacetamide Traditional Name: N-(2-acetylphenyl)-2-[[5-(azepan-1-ylsulfonyl)-2-pyridyl]thio]acetamide Formula: C21H25N3O4S2 MolecularWeight: 447.5709

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=CC=C1NC(=O)CSC2=NC=C(C=C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CC(=O)C1=CC=CC=C1NC(=O)CSC2=NC=C(C=C2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C21H25N3O4S2/c1-16(25)18-8-4-5-9-19(18)23-20(26)15-29-21-11-10-17(14-22-21)30(27,28)24-12-6-2-3-7-13-24/h4-5,8-11,14H,2-3,6-7,12-13,15H2,1H3,(H,23,26)