2-[[5-(diethylsulfamoyl)pyridin-1-ium-2-yl]-ethyl-amino]-N-[(4-fluorophenyl)methyl]ethanamide

Systemtic Name: 2-[[5-(diethylsulfamoyl)pyridin-1-ium-2-yl]-ethyl-amino]-N-[(4-fluorophenyl)methyl]ethanamide Openeye Name: 2-[[5-(diethylsulfamoyl)pyridin-1-ium-2-yl]-ethyl-amino]-N-[(4-fluorophenyl)methyl]acetamide CAS Name: 2-[[5-(diethylsulfamoyl)-2-pyridin-1-iumyl]-ethylamino]-N-[(4-fluorophenyl)methyl]acetamide IUPAC Name: 2-[[5-(diethylsulfamoyl)pyridin-1-ium-2-yl]-ethylamino]-N-[(4-fluorophenyl)methyl]acetamide Traditional Name: 2-[[5-(diethylsulfamoyl)pyridin-1-ium-2-yl]-ethyl-amino]-N-(4-fluorobenzyl)acetamide Formula: C20H28FN4O3S+ MolecularWeight: 423.524723

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=C[NH+]=C(C=C1)N(CC)CC(=O)NCC2=CC=C(C=C2)F

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=C[NH+]=C(C=C1)N(CC)CC(=O)NCC2=CC=C(C=C2)F

InChI

InChI=1S/C20H27FN4O3S/c1-4-24(15-20(26)23-13-16-7-9-17(21)10-8-16)19-12-11-18(14-22-19)29(27,28)25(5-2)6-3/h7-12,14H,4-6,13,15H2,1-3H3,(H,23,26)/p+1