2-[[5-(diethylsulfamoyl)pyridin-1-ium-2-yl]-methyl-amino]-N-(3-fluorophenyl)ethanamide

Systemtic Name: 2-[[5-(diethylsulfamoyl)pyridin-1-ium-2-yl]-methyl-amino]-N-(3-fluorophenyl)ethanamide Openeye Name: 2-[[5-(diethylsulfamoyl)pyridin-1-ium-2-yl]-methyl-amino]-N-(3-fluorophenyl)acetamide CAS Name: 2-[[5-(diethylsulfamoyl)-2-pyridin-1-iumyl]-methylamino]-N-(3-fluorophenyl)acetamide IUPAC Name: 2-[[5-(diethylsulfamoyl)pyridin-1-ium-2-yl]-methylamino]-N-(3-fluorophenyl)acetamide Traditional Name: 2-[[5-(diethylsulfamoyl)pyridin-1-ium-2-yl]-methyl-amino]-N-(3-fluorophenyl)acetamide Formula: C18H24FN4O3S+ MolecularWeight: 395.471563

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=C[NH+]=C(C=C1)N(C)CC(=O)NC2=CC(=CC=C2)F

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=C[NH+]=C(C=C1)N(C)CC(=O)NC2=CC(=CC=C2)F

InChI

InChI=1S/C18H23FN4O3S/c1-4-23(5-2)27(25,26)16-9-10-17(20-12-16)22(3)13-18(24)21-15-8-6-7-14(19)11-15/h6-12H,4-5,13H2,1-3H3,(H,21,24)/p+1