dimethyl 5-[2-[[3-(phenylsulfonyl)-1H-benzimidazol-3-ium-2-yl]sulfanyl]ethanoylamino]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[2-[[3-(phenylsulfonyl)-1H-benzimidazol-3-ium-2-yl]sulfanyl]ethanoylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[[2-[[3-(benzenesulfonyl)-1H-benzimidazol-3-ium-2-yl]sulfanyl]acetyl]amino]benzene-1,3-dicarboxylate CAS Name: 5-[[2-[[3-(benzenesulfonyl)-1H-benzimidazol-3-ium-2-yl]thio]-1-oxoethyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[[2-[[3-(benzenesulfonyl)-1H-benzimidazol-3-ium-2-yl]sulfanyl]acetyl]amino]benzene-1,3-dicarboxylate Traditional Name: 5-[[2-[(3-besyl-1H-benzimidazol-3-ium-2-yl)thio]acetyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C25H22N3O7S2+ MolecularWeight: 540.58808

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H21N3O7S2/c1-34-23(30)16-12-17(24(31)35-2)14-18(13-16)26-22(29)15-36-25-27-20-10-6-7-11-21(20)28(25)37(32,33)19-8-4-3-5-9-19/h3-14H,15H2,1-2H3,(H,26,29)/p+1