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

Systemtic Name: 2-[5-(azepan-1-ylsulfonyl)pyridin-2-yl]sulfanyl-N-(2-methylbutan-2-yl)ethanamide Openeye Name: 2-[[5-(azepan-1-ylsulfonyl)-2-pyridyl]sulfanyl]-N-(1,1-dimethylpropyl)acetamide CAS Name: 2-[[5-(1-azepanylsulfonyl)-2-pyridinyl]thio]-N-(2-methylbutan-2-yl)acetamide IUPAC Name: 2-[5-(azepan-1-ylsulfonyl)pyridin-2-yl]sulfanyl-N-(2-methylbutan-2-yl)acetamide Traditional Name: N-tert-amyl-2-[[5-(azepan-1-ylsulfonyl)-2-pyridyl]thio]acetamide Formula: C18H29N3O3S2 MolecularWeight: 399.57116

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H29N3O3S2/c1-4-18(2,3)20-16(22)14-25-17-10-9-15(13-19-17)26(23,24)21-11-7-5-6-8-12-21/h9-10,13H,4-8,11-12,14H2,1-3H3,(H,20,22)