methyl 2-fluoranyl-5-[2-[[3-(phenylsulfonyl)-1H-benzimidazol-3-ium-2-yl]sulfanyl]ethanoylamino]benzoate

Systemtic Name: methyl 2-fluoranyl-5-[2-[[3-(phenylsulfonyl)-1H-benzimidazol-3-ium-2-yl]sulfanyl]ethanoylamino]benzoate Openeye Name: methyl 5-[[2-[[3-(benzenesulfonyl)-1H-benzimidazol-3-ium-2-yl]sulfanyl]acetyl]amino]-2-fluoro-benzoate CAS Name: 5-[[2-[[3-(benzenesulfonyl)-1H-benzimidazol-3-ium-2-yl]thio]-1-oxoethyl]amino]-2-fluorobenzoic acid methyl ester IUPAC Name: methyl 5-[[2-[[3-(benzenesulfonyl)-1H-benzimidazol-3-ium-2-yl]sulfanyl]acetyl]amino]-2-fluorobenzoate Traditional Name: 5-[[2-[(3-besyl-1H-benzimidazol-3-ium-2-yl)thio]acetyl]amino]-2-fluoro-benzoic acid methyl ester Formula: C23H19FN3O5S2+ MolecularWeight: 500.542463

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CC(=C1)NC(=O)CSC2=[N+](C3=CC=CC=C3N2)S(=O)(=O)C4=CC=CC=C4)F

Isomeric SMILES

COC(=O)C1=C(C=CC(=C1)NC(=O)CSC2=[N+](C3=CC=CC=C3N2)S(=O)(=O)C4=CC=CC=C4)F

InChI

InChI=1S/C23H18FN3O5S2/c1-32-22(29)17-13-15(11-12-18(17)24)25-21(28)14-33-23-26-19-9-5-6-10-20(19)27(23)34(30,31)16-7-3-2-4-8-16/h2-13H,14H2,1H3,(H,25,28)/p+1