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

Systemtic Name: 2-[5-(azepan-1-ylsulfonyl)pyridin-2-yl]sulfanyl-N-(prop-2-enylcarbamoyl)ethanamide Openeye Name: N-(allylcarbamoyl)-2-[[5-(azepan-1-ylsulfonyl)-2-pyridyl]sulfanyl]acetamide CAS Name: 2-[[5-(1-azepanylsulfonyl)-2-pyridinyl]thio]-N-[oxo-(prop-2-enylamino)methyl]acetamide IUPAC Name: 2-[5-(azepan-1-ylsulfonyl)pyridin-2-yl]sulfanyl-N-(prop-2-enylcarbamoyl)acetamide Traditional Name: N-(allylcarbamoyl)-2-[[5-(azepan-1-ylsulfonyl)-2-pyridyl]thio]acetamide Formula: C17H24N4O4S2 MolecularWeight: 412.52686

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H24N4O4S2/c1-2-9-18-17(23)20-15(22)13-26-16-8-7-14(12-19-16)27(24,25)21-10-5-3-4-6-11-21/h2,7-8,12H,1,3-6,9-11,13H2,(H2,18,20,22,23)