N-(4-ethoxy-2-nitro-phenyl)-2-[[3-(phenylsulfonyl)-1H-benzimidazol-3-ium-2-yl]sulfanyl]ethanamide

Systemtic Name: N-(4-ethoxy-2-nitro-phenyl)-2-[[3-(phenylsulfonyl)-1H-benzimidazol-3-ium-2-yl]sulfanyl]ethanamide Openeye Name: 2-[[3-(benzenesulfonyl)-1H-benzimidazol-3-ium-2-yl]sulfanyl]-N-(4-ethoxy-2-nitro-phenyl)acetamide CAS Name: 2-[[3-(benzenesulfonyl)-1H-benzimidazol-3-ium-2-yl]thio]-N-(4-ethoxy-2-nitrophenyl)acetamide IUPAC Name: 2-[[3-(benzenesulfonyl)-1H-benzimidazol-3-ium-2-yl]sulfanyl]-N-(4-ethoxy-2-nitrophenyl)acetamide Traditional Name: 2-[(3-besyl-1H-benzimidazol-3-ium-2-yl)thio]-N-(4-ethoxy-2-nitro-phenyl)acetamide Formula: C23H21N4O6S2+ MolecularWeight: 513.56604

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C=C1)NC(=O)CSC2=[N+](C3=CC=CC=C3N2)S(=O)(=O)C4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC(=C(C=C1)NC(=O)CSC2=[N+](C3=CC=CC=C3N2)S(=O)(=O)C4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C23H20N4O6S2/c1-2-33-16-12-13-19(21(14-16)27(29)30)24-22(28)15-34-23-25-18-10-6-7-11-20(18)26(23)35(31,32)17-8-4-3-5-9-17/h3-14H,2,15H2,1H3,(H,24,28)/p+1