2-[(7-chloranyl-1,3-benzodioxol-5-yl)methylsulfinyl]-N-propyl-ethanamide

Systemtic Name: 2-[(7-chloranyl-1,3-benzodioxol-5-yl)methylsulfinyl]-N-propyl-ethanamide Openeye Name: 2-[(7-chloro-1,3-benzodioxol-5-yl)methylsulfinyl]-N-propyl-acetamide CAS Name: 2-[(7-chloro-1,3-benzodioxol-5-yl)methylsulfinyl]-N-propylacetamide IUPAC Name: 2-[(7-chloro-1,3-benzodioxol-5-yl)methylsulfinyl]-N-propylacetamide Traditional Name: 2-[(7-chloro-1,3-benzodioxol-5-yl)methylsulfinyl]-N-propyl-acetamide Formula: C13H16ClNO4S MolecularWeight: 317.78844

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)CS(=O)CC1=CC2=C(C(=C1)Cl)OCO2

Isomeric SMILES

CCCNC(=O)CS(=O)CC1=CC2=C(C(=C1)Cl)OCO2

InChI

InChI=1S/C13H16ClNO4S/c1-2-3-15-12(16)7-20(17)6-9-4-10(14)13-11(5-9)18-8-19-13/h4-5H,2-3,6-8H2,1H3,(H,15,16)