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

Systemtic Name: 2-[5-(azepan-1-ylsulfonyl)pyridin-2-yl]sulfanyl-N-(tert-butylcarbamoyl)ethanamide Openeye Name: 2-[[5-(azepan-1-ylsulfonyl)-2-pyridyl]sulfanyl]-N-(tert-butylcarbamoyl)acetamide CAS Name: 2-[[5-(1-azepanylsulfonyl)-2-pyridinyl]thio]-N-[(tert-butylamino)-oxomethyl]acetamide IUPAC Name: 2-[5-(azepan-1-ylsulfonyl)pyridin-2-yl]sulfanyl-N-(tert-butylcarbamoyl)acetamide Traditional Name: 2-[[5-(azepan-1-ylsulfonyl)-2-pyridyl]thio]-N-(tert-butylcarbamoyl)acetamide Formula: C18H28N4O4S2 MolecularWeight: 428.56932

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H28N4O4S2/c1-18(2,3)21-17(24)20-15(23)13-27-16-9-8-14(12-19-16)28(25,26)22-10-6-4-5-7-11-22/h8-9,12H,4-7,10-11,13H2,1-3H3,(H2,20,21,23,24)