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

Systemtic Name: 2-[5-(azepan-1-ylsulfonyl)pyridin-2-yl]sulfanyl-N-(2-methylpropyl)ethanamide Openeye Name: 2-[[5-(azepan-1-ylsulfonyl)-2-pyridyl]sulfanyl]-N-isobutyl-acetamide CAS Name: 2-[[5-(1-azepanylsulfonyl)-2-pyridinyl]thio]-N-(2-methylpropyl)acetamide IUPAC Name: 2-[5-(azepan-1-ylsulfonyl)pyridin-2-yl]sulfanyl-N-(2-methylpropyl)acetamide Traditional Name: 2-[[5-(azepan-1-ylsulfonyl)-2-pyridyl]thio]-N-isobutyl-acetamide Formula: C17H27N3O3S2 MolecularWeight: 385.54458

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H27N3O3S2/c1-14(2)11-18-16(21)13-24-17-8-7-15(12-19-17)25(22,23)20-9-5-3-4-6-10-20/h7-8,12,14H,3-6,9-11,13H2,1-2H3,(H,18,21)