2-[(4-fluorophenyl)-methylsulfonyl-amino]-N-(3-morpholin-4-ium-4-ylpropyl)ethanamide

Systemtic Name: 2-[(4-fluorophenyl)-methylsulfonyl-amino]-N-(3-morpholin-4-ium-4-ylpropyl)ethanamide Openeye Name: 2-(4-fluoro-N-methylsulfonyl-anilino)-N-(3-morpholin-4-ium-4-ylpropyl)acetamide CAS Name: 2-(4-fluoro-N-methylsulfonylanilino)-N-[3-(4-morpholin-4-iumyl)propyl]acetamide IUPAC Name: 2-(4-fluoro-N-methylsulfonylanilino)-N-(3-morpholin-4-ium-4-ylpropyl)acetamide Traditional Name: 2-(4-fluoro-N-mesyl-anilino)-N-(3-morpholin-4-ium-4-ylpropyl)acetamide Formula: C16H25FN3O4S+ MolecularWeight: 374.450803

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H24FN3O4S/c1-25(22,23)20(15-5-3-14(17)4-6-15)13-16(21)18-7-2-8-19-9-11-24-12-10-19/h3-6H,2,7-13H2,1H3,(H,18,21)/p+1