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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H28N4O4S2/c1-14(2)11-20-18(24)21-16(23)13-27-17-8-7-15(12-19-17)28(25,26)22-9-5-3-4-6-10-22/h7-8,12,14H,3-6,9-11,13H2,1-2H3,(H2,20,21,23,24)