N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-methylsulfonyl-propanamide

Systemtic Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-methylsulfonyl-propanamide Openeye Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-methylsulfonyl-propanamide CAS Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-methylsulfonylpropanamide IUPAC Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-methylsulfonylpropanamide Traditional Name: N-homopiperonyl-2-mesyl-propionamide Formula: C13H17NO5S MolecularWeight: 299.34278

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCCC1=CC2=C(C=C1)OCO2)S(=O)(=O)C

Isomeric SMILES

CC(C(=O)NCCC1=CC2=C(C=C1)OCO2)S(=O)(=O)C

InChI

InChI=1S/C13H17NO5S/c1-9(20(2,16)17)13(15)14-6-5-10-3-4-11-12(7-10)19-8-18-11/h3-4,7,9H,5-6,8H2,1-2H3,(H,14,15)