2-[(3-chloranyl-4-fluoranyl-phenyl)-methylsulfonyl-amino]-N-(2-morpholin-4-ium-4-ylethyl)ethanamide

Systemtic Name: 2-[(3-chloranyl-4-fluoranyl-phenyl)-methylsulfonyl-amino]-N-(2-morpholin-4-ium-4-ylethyl)ethanamide Openeye Name: 2-(3-chloro-4-fluoro-N-methylsulfonyl-anilino)-N-(2-morpholin-4-ium-4-ylethyl)acetamide CAS Name: 2-(3-chloro-4-fluoro-N-methylsulfonylanilino)-N-[2-(4-morpholin-4-iumyl)ethyl]acetamide IUPAC Name: 2-(3-chloro-4-fluoro-N-methylsulfonylanilino)-N-(2-morpholin-4-ium-4-ylethyl)acetamide Traditional Name: 2-(3-chloro-4-fluoro-N-mesyl-anilino)-N-(2-morpholin-4-ium-4-ylethyl)acetamide Formula: C15H22ClFN3O4S+ MolecularWeight: 394.869283

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H21ClFN3O4S/c1-25(22,23)20(12-2-3-14(17)13(16)10-12)11-15(21)18-4-5-19-6-8-24-9-7-19/h2-3,10H,4-9,11H2,1H3,(H,18,21)/p+1