N-(5-chloranyl-2-morpholin-4-yl-phenyl)-2-[[3-(phenylsulfonyl)-1H-benzimidazol-3-ium-2-yl]sulfanyl]ethanamide

Systemtic Name: N-(5-chloranyl-2-morpholin-4-yl-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-(5-chloro-2-morpholino-phenyl)acetamide CAS Name: 2-[[3-(benzenesulfonyl)-1H-benzimidazol-3-ium-2-yl]thio]-N-[5-chloro-2-(4-morpholinyl)phenyl]acetamide IUPAC Name: 2-[[3-(benzenesulfonyl)-1H-benzimidazol-3-ium-2-yl]sulfanyl]-N-(5-chloro-2-morpholin-4-ylphenyl)acetamide Traditional Name: 2-[(3-besyl-1H-benzimidazol-3-ium-2-yl)thio]-N-(5-chloro-2-morpholino-phenyl)acetamide Formula: C25H24ClN4O4S2+ MolecularWeight: 544.06546

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=C(C=C(C=C2)Cl)NC(=O)CSC3=[N+](C4=CC=CC=C4N3)S(=O)(=O)C5=CC=CC=C5

Isomeric SMILES

C1COCCN1C2=C(C=C(C=C2)Cl)NC(=O)CSC3=[N+](C4=CC=CC=C4N3)S(=O)(=O)C5=CC=CC=C5

InChI

InChI=1S/C25H23ClN4O4S2/c26-18-10-11-22(29-12-14-34-15-13-29)21(16-18)27-24(31)17-35-25-28-20-8-4-5-9-23(20)30(25)36(32,33)19-6-2-1-3-7-19/h1-11,16H,12-15,17H2,(H,27,31)/p+1