4-[[4-[[2-[3,4-bis(chloranyl)phenoxy]ethanoylamino]methyl]pyridin-1-ium-1-yl]methyl]benzenesulfonyl fluoride

Systemtic Name: 4-[[4-[[2-[3,4-bis(chloranyl)phenoxy]ethanoylamino]methyl]pyridin-1-ium-1-yl]methyl]benzenesulfonyl fluoride Openeye Name: 4-[[4-[[[2-(3,4-dichlorophenoxy)acetyl]amino]methyl]pyridin-1-ium-1-yl]methyl]benzenesulfonyl fluoride CAS Name: 4-[[4-[[[2-(3,4-dichlorophenoxy)-1-oxoethyl]amino]methyl]-1-pyridin-1-iumyl]methyl]benzenesulfonyl fluoride IUPAC Name: 4-[[4-[[[2-(3,4-dichlorophenoxy)acetyl]amino]methyl]pyridin-1-ium-1-yl]methyl]benzenesulfonyl fluoride Traditional Name: 4-[[4-[[[2-(3,4-dichlorophenoxy)acetyl]amino]methyl]pyridin-1-ium-1-yl]methyl]benzenesulfonyl fluoride Formula: C21H18Cl2FN2O4S+ MolecularWeight: 484.348023

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C[N+]2=CC=C(C=C2)CNC(=O)COC3=CC(=C(C=C3)Cl)Cl)S(=O)(=O)F

Isomeric SMILES

C1=CC(=CC=C1C[N+]2=CC=C(C=C2)CNC(=O)COC3=CC(=C(C=C3)Cl)Cl)S(=O)(=O)F

InChI

InChI=1S/C21H17Cl2FN2O4S/c22-19-6-3-17(11-20(19)23)30-14-21(27)25-12-15-7-9-26(10-8-15)13-16-1-4-18(5-2-16)31(24,28)29/h1-11H,12-14H2/p+1