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

Systemtic Name: N-(4-morpholin-4-ylphenyl)-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-morpholinophenyl)acetamide CAS Name: 2-[[3-(benzenesulfonyl)-1H-benzimidazol-3-ium-2-yl]thio]-N-[4-(4-morpholinyl)phenyl]acetamide IUPAC Name: 2-[[3-(benzenesulfonyl)-1H-benzimidazol-3-ium-2-yl]sulfanyl]-N-(4-morpholin-4-ylphenyl)acetamide Traditional Name: 2-[(3-besyl-1H-benzimidazol-3-ium-2-yl)thio]-N-(4-morpholinophenyl)acetamide Formula: C25H25N4O4S2+ MolecularWeight: 509.6204

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H24N4O4S2/c30-24(26-19-10-12-20(13-11-19)28-14-16-33-17-15-28)18-34-25-27-22-8-4-5-9-23(22)29(25)35(31,32)21-6-2-1-3-7-21/h1-13H,14-18H2,(H,26,30)/p+1