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

Systemtic Name: N-(5-chloranyl-2-piperidin-1-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-(1-piperidyl)phenyl]acetamide CAS Name: 2-[[3-(benzenesulfonyl)-1H-benzimidazol-3-ium-2-yl]thio]-N-[5-chloro-2-(1-piperidinyl)phenyl]acetamide IUPAC Name: 2-[[3-(benzenesulfonyl)-1H-benzimidazol-3-ium-2-yl]sulfanyl]-N-(5-chloro-2-piperidin-1-ylphenyl)acetamide Traditional Name: 2-[(3-besyl-1H-benzimidazol-3-ium-2-yl)thio]-N-(5-chloro-2-piperidino-phenyl)acetamide Formula: C26H26ClN4O3S2+ MolecularWeight: 542.09264

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C(C=C(C=C2)Cl)NC(=O)CSC3=[N+](C4=CC=CC=C4N3)S(=O)(=O)C5=CC=CC=C5

Isomeric SMILES

C1CCN(CC1)C2=C(C=C(C=C2)Cl)NC(=O)CSC3=[N+](C4=CC=CC=C4N3)S(=O)(=O)C5=CC=CC=C5

InChI

InChI=1S/C26H25ClN4O3S2/c27-19-13-14-23(30-15-7-2-8-16-30)22(17-19)28-25(32)18-35-26-29-21-11-5-6-12-24(21)31(26)36(33,34)20-9-3-1-4-10-20/h1,3-6,9-14,17H,2,7-8,15-16,18H2,(H,28,32)/p+1