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

Systemtic Name: 2-[2-[5-(azepan-1-ylsulfonyl)pyridin-2-yl]sulfanylethanoylamino]-N-methyl-ethanamide Openeye Name: 2-[[2-[[5-(azepan-1-ylsulfonyl)-2-pyridyl]sulfanyl]acetyl]amino]-N-methyl-acetamide CAS Name: 2-[[2-[[5-(1-azepanylsulfonyl)-2-pyridinyl]thio]-1-oxoethyl]amino]-N-methylacetamide IUPAC Name: 2-[[2-[5-(azepan-1-ylsulfonyl)pyridin-2-yl]sulfanylacetyl]amino]-N-methylacetamide Traditional Name: 2-[[2-[[5-(azepan-1-ylsulfonyl)-2-pyridyl]thio]acetyl]amino]-N-methyl-acetamide Formula: C16H24N4O4S2 MolecularWeight: 400.51616

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H24N4O4S2/c1-17-14(21)11-18-15(22)12-25-16-7-6-13(10-19-16)26(23,24)20-8-4-2-3-5-9-20/h6-7,10H,2-5,8-9,11-12H2,1H3,(H,17,21)(H,18,22)