2-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]-N-(3-morpholin-4-ium-4-ylpropyl)ethanamide

Systemtic Name: 2-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]-N-(3-morpholin-4-ium-4-ylpropyl)ethanamide Openeye Name: 2-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]-N-(3-morpholin-4-ium-4-ylpropyl)acetamide CAS Name: 2-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]-N-[3-(4-morpholin-4-iumyl)propyl]acetamide IUPAC Name: 2-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]-N-(3-morpholin-4-ium-4-ylpropyl)acetamide Traditional Name: 2-[1,3-benzodioxol-5-yl(mesyl)amino]-N-(3-morpholin-4-ium-4-ylpropyl)acetamide Formula: C17H26N3O6S+ MolecularWeight: 400.46984

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N(CC(=O)NCCC[NH+]1CCOCC1)C2=CC3=C(C=C2)OCO3

Isomeric SMILES

CS(=O)(=O)N(CC(=O)NCCC[NH+]1CCOCC1)C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C17H25N3O6S/c1-27(22,23)20(14-3-4-15-16(11-14)26-13-25-15)12-17(21)18-5-2-6-19-7-9-24-10-8-19/h3-4,11H,2,5-10,12-13H2,1H3,(H,18,21)/p+1