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

Systemtic Name: ethyl 4-[2-[[3-(phenylsulfonyl)-1H-benzimidazol-3-ium-2-yl]sulfanyl]ethanoylamino]benzoate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C24H22N3O5S2+ MolecularWeight: 496.57858

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H21N3O5S2/c1-2-32-23(29)17-12-14-18(15-13-17)25-22(28)16-33-24-26-20-10-6-7-11-21(20)27(24)34(30,31)19-8-4-3-5-9-19/h3-15H,2,16H2,1H3,(H,25,28,29)/p+1