methyl 4-[2-[[3-(phenylsulfonyl)-1H-benzimidazol-3-ium-2-yl]sulfanyl]ethanoylamino]benzoate

Systemtic Name: methyl 4-[2-[[3-(phenylsulfonyl)-1H-benzimidazol-3-ium-2-yl]sulfanyl]ethanoylamino]benzoate Openeye Name: methyl 4-[[2-[[3-(benzenesulfonyl)-1H-benzimidazol-3-ium-2-yl]sulfanyl]acetyl]amino]benzoate CAS Name: 4-[[2-[[3-(benzenesulfonyl)-1H-benzimidazol-3-ium-2-yl]thio]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-[[3-(benzenesulfonyl)-1H-benzimidazol-3-ium-2-yl]sulfanyl]acetyl]amino]benzoate Traditional Name: 4-[[2-[(3-besyl-1H-benzimidazol-3-ium-2-yl)thio]acetyl]amino]benzoic acid methyl ester Formula: C23H20N3O5S2+ MolecularWeight: 482.552

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H19N3O5S2/c1-31-22(28)16-11-13-17(14-12-16)24-21(27)15-32-23-25-19-9-5-6-10-20(19)26(23)33(29,30)18-7-3-2-4-8-18/h2-14H,15H2,1H3,(H,24,27,28)/p+1