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

Systemtic Name: N-(5-chloranyl-2-pyrrolidin-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-pyrrolidin-1-yl-phenyl)acetamide CAS Name: 2-[[3-(benzenesulfonyl)-1H-benzimidazol-3-ium-2-yl]thio]-N-[5-chloro-2-(1-pyrrolidinyl)phenyl]acetamide IUPAC Name: 2-[[3-(benzenesulfonyl)-1H-benzimidazol-3-ium-2-yl]sulfanyl]-N-(5-chloro-2-pyrrolidin-1-ylphenyl)acetamide Traditional Name: 2-[(3-besyl-1H-benzimidazol-3-ium-2-yl)thio]-N-(5-chloro-2-pyrrolidino-phenyl)acetamide Formula: C25H24ClN4O3S2+ MolecularWeight: 528.06606

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)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(C1)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/C25H23ClN4O3S2/c26-18-12-13-22(29-14-6-7-15-29)21(16-18)27-24(31)17-34-25-28-20-10-4-5-11-23(20)30(25)35(32,33)19-8-2-1-3-9-19/h1-5,8-13,16H,6-7,14-15,17H2,(H,27,31)/p+1