N-(prop-2-enylcarbamoyl)-2-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(prop-2-enylcarbamoyl)-2-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanyl-ethanamide Openeye Name: N-(allylcarbamoyl)-2-[(5-pyrrolidin-1-ylsulfonyl-2-pyridyl)sulfanyl]acetamide CAS Name: N-[oxo-(prop-2-enylamino)methyl]-2-[[5-(1-pyrrolidinylsulfonyl)-2-pyridinyl]thio]acetamide IUPAC Name: N-(prop-2-enylcarbamoyl)-2-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanylacetamide Traditional Name: N-(allylcarbamoyl)-2-[(5-pyrrolidinosulfonyl-2-pyridyl)thio]acetamide Formula: C15H20N4O4S2 MolecularWeight: 384.4737

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CCNC(=O)NC(=O)CSC1=NC=C(C=C1)S(=O)(=O)N2CCCC2

Isomeric SMILES

C=CCNC(=O)NC(=O)CSC1=NC=C(C=C1)S(=O)(=O)N2CCCC2

InChI

InChI=1S/C15H20N4O4S2/c1-2-7-16-15(21)18-13(20)11-24-14-6-5-12(10-17-14)25(22,23)19-8-3-4-9-19/h2,5-6,10H,1,3-4,7-9,11H2,(H2,16,18,20,21)