2-[2-[5-(azepan-1-ylsulfonyl)pyridin-2-yl]sulfanylethanoyl-methyl-amino]-N-methyl-ethanamide

Systemtic Name: 2-[2-[5-(azepan-1-ylsulfonyl)pyridin-2-yl]sulfanylethanoyl-methyl-amino]-N-methyl-ethanamide Openeye Name: 2-[[2-[[5-(azepan-1-ylsulfonyl)-2-pyridyl]sulfanyl]acetyl]-methyl-amino]-N-methyl-acetamide CAS Name: 2-[[2-[[5-(1-azepanylsulfonyl)-2-pyridinyl]thio]-1-oxoethyl]-methylamino]-N-methylacetamide IUPAC Name: 2-[[2-[5-(azepan-1-ylsulfonyl)pyridin-2-yl]sulfanylacetyl]-methylamino]-N-methylacetamide Traditional Name: 2-[[2-[[5-(azepan-1-ylsulfonyl)-2-pyridyl]thio]acetyl]-methyl-amino]-N-methyl-acetamide Formula: C17H26N4O4S2 MolecularWeight: 414.54274

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)CN(C)C(=O)CSC1=NC=C(C=C1)S(=O)(=O)N2CCCCCC2

Isomeric SMILES

CNC(=O)CN(C)C(=O)CSC1=NC=C(C=C1)S(=O)(=O)N2CCCCCC2

InChI

InChI=1S/C17H26N4O4S2/c1-18-15(22)12-20(2)17(23)13-26-16-8-7-14(11-19-16)27(24,25)21-9-5-3-4-6-10-21/h7-8,11H,3-6,9-10,12-13H2,1-2H3,(H,18,22)