2-[5-(azepan-1-ylsulfonyl)pyridin-2-yl]sulfanyl-N-(2-methyl-2-morpholin-4-yl-propyl)ethanamide

Systemtic Name: 2-[5-(azepan-1-ylsulfonyl)pyridin-2-yl]sulfanyl-N-(2-methyl-2-morpholin-4-yl-propyl)ethanamide Openeye Name: 2-[[5-(azepan-1-ylsulfonyl)-2-pyridyl]sulfanyl]-N-(2-methyl-2-morpholino-propyl)acetamide CAS Name: 2-[[5-(1-azepanylsulfonyl)-2-pyridinyl]thio]-N-[2-methyl-2-(4-morpholinyl)propyl]acetamide IUPAC Name: 2-[5-(azepan-1-ylsulfonyl)pyridin-2-yl]sulfanyl-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide Traditional Name: 2-[[5-(azepan-1-ylsulfonyl)-2-pyridyl]thio]-N-(2-methyl-2-morpholino-propyl)acetamide Formula: C21H34N4O4S2 MolecularWeight: 470.64906

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CNC(=O)CSC1=NC=C(C=C1)S(=O)(=O)N2CCCCCC2)N3CCOCC3

Isomeric SMILES

CC(C)(CNC(=O)CSC1=NC=C(C=C1)S(=O)(=O)N2CCCCCC2)N3CCOCC3

InChI

InChI=1S/C21H34N4O4S2/c1-21(2,24-11-13-29-14-12-24)17-23-19(26)16-30-20-8-7-18(15-22-20)31(27,28)25-9-5-3-4-6-10-25/h7-8,15H,3-6,9-14,16-17H2,1-2H3,(H,23,26)