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

Systemtic Name: 2-[5-(azepan-1-ylsulfonyl)pyridin-2-yl]sulfanyl-N-(propan-2-ylcarbamoyl)ethanamide Openeye Name: 2-[[5-(azepan-1-ylsulfonyl)-2-pyridyl]sulfanyl]-N-(isopropylcarbamoyl)acetamide CAS Name: 2-[[5-(1-azepanylsulfonyl)-2-pyridinyl]thio]-N-[oxo-(propan-2-ylamino)methyl]acetamide IUPAC Name: 2-[5-(azepan-1-ylsulfonyl)pyridin-2-yl]sulfanyl-N-(propan-2-ylcarbamoyl)acetamide Traditional Name: 2-[[5-(azepan-1-ylsulfonyl)-2-pyridyl]thio]-N-(isopropylcarbamoyl)acetamide Formula: C17H26N4O4S2 MolecularWeight: 414.54274

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H26N4O4S2/c1-13(2)19-17(23)20-15(22)12-26-16-8-7-14(11-18-16)27(24,25)21-9-5-3-4-6-10-21/h7-8,11,13H,3-6,9-10,12H2,1-2H3,(H2,19,20,22,23)