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

Systemtic Name: 2-[5-(azepan-1-ylsulfonyl)pyridin-2-yl]sulfanyl-N-(2-methoxyethyl)ethanamide Openeye Name: 2-[[5-(azepan-1-ylsulfonyl)-2-pyridyl]sulfanyl]-N-(2-methoxyethyl)acetamide CAS Name: 2-[[5-(1-azepanylsulfonyl)-2-pyridinyl]thio]-N-(2-methoxyethyl)acetamide IUPAC Name: 2-[5-(azepan-1-ylsulfonyl)pyridin-2-yl]sulfanyl-N-(2-methoxyethyl)acetamide Traditional Name: 2-[[5-(azepan-1-ylsulfonyl)-2-pyridyl]thio]-N-(2-methoxyethyl)acetamide Formula: C16H25N3O4S2 MolecularWeight: 387.5174

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H25N3O4S2/c1-23-11-8-17-15(20)13-24-16-7-6-14(12-18-16)25(21,22)19-9-4-2-3-5-10-19/h6-7,12H,2-5,8-11,13H2,1H3,(H,17,20)