4-[[(3-chloranyl-4-fluoranyl-phenyl)sulfonylamino]methyl]-N-(2-methyl-2-morpholin-4-ium-4-yl-propyl)benzamide

Systemtic Name: 4-[[(3-chloranyl-4-fluoranyl-phenyl)sulfonylamino]methyl]-N-(2-methyl-2-morpholin-4-ium-4-yl-propyl)benzamide Openeye Name: 4-[[(3-chloro-4-fluoro-phenyl)sulfonylamino]methyl]-N-(2-methyl-2-morpholin-4-ium-4-yl-propyl)benzamide CAS Name: 4-[[(3-chloro-4-fluorophenyl)sulfonylamino]methyl]-N-[2-methyl-2-(4-morpholin-4-iumyl)propyl]benzamide IUPAC Name: 4-[[(3-chloro-4-fluorophenyl)sulfonylamino]methyl]-N-(2-methyl-2-morpholin-4-ium-4-ylpropyl)benzamide Traditional Name: 4-[[(3-chloro-4-fluoro-phenyl)sulfonylamino]methyl]-N-(2-methyl-2-morpholin-4-ium-4-yl-propyl)benzamide Formula: C22H28ClFN3O4S+ MolecularWeight: 484.991823

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CNC(=O)C1=CC=C(C=C1)CNS(=O)(=O)C2=CC(=C(C=C2)F)Cl)[NH+]3CCOCC3

Isomeric SMILES

CC(C)(CNC(=O)C1=CC=C(C=C1)CNS(=O)(=O)C2=CC(=C(C=C2)F)Cl)[NH+]3CCOCC3

InChI

InChI=1S/C22H27ClFN3O4S/c1-22(2,27-9-11-31-12-10-27)15-25-21(28)17-5-3-16(4-6-17)14-26-32(29,30)18-7-8-20(24)19(23)13-18/h3-8,13,26H,9-12,14-15H2,1-2H3,(H,25,28)/p+1