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

Systemtic Name: 2-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]-N-(2-morpholin-4-ium-4-ylethyl)ethanamide Openeye Name: 2-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]-N-(2-morpholin-4-ium-4-ylethyl)acetamide CAS Name: 2-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]-N-[2-(4-morpholin-4-iumyl)ethyl]acetamide IUPAC Name: 2-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]-N-(2-morpholin-4-ium-4-ylethyl)acetamide Traditional Name: 2-[1,3-benzodioxol-5-yl(mesyl)amino]-N-(2-morpholin-4-ium-4-ylethyl)acetamide Formula: C16H24N3O6S+ MolecularWeight: 386.44326

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23N3O6S/c1-26(21,22)19(13-2-3-14-15(10-13)25-12-24-14)11-16(20)17-4-5-18-6-8-23-9-7-18/h2-3,10H,4-9,11-12H2,1H3,(H,17,20)/p+1