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

Systemtic Name: N-[4-(4-ethanoylpiperazin-1-yl)phenyl]-2-[[3-(phenylsulfonyl)-1H-benzimidazol-3-ium-2-yl]sulfanyl]ethanamide Openeye Name: N-[4-(4-acetylpiperazin-1-yl)phenyl]-2-[[3-(benzenesulfonyl)-1H-benzimidazol-3-ium-2-yl]sulfanyl]acetamide CAS Name: N-[4-(4-acetyl-1-piperazinyl)phenyl]-2-[[3-(benzenesulfonyl)-1H-benzimidazol-3-ium-2-yl]thio]acetamide IUPAC Name: N-[4-(4-acetylpiperazin-1-yl)phenyl]-2-[[3-(benzenesulfonyl)-1H-benzimidazol-3-ium-2-yl]sulfanyl]acetamide Traditional Name: N-[4-(4-acetylpiperazino)phenyl]-2-[(3-besyl-1H-benzimidazol-3-ium-2-yl)thio]acetamide Formula: C27H28N5O4S2+ MolecularWeight: 550.67232

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(=O)CSC3=[N+](C4=CC=CC=C4N3)S(=O)(=O)C5=CC=CC=C5

Isomeric SMILES

CC(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(=O)CSC3=[N+](C4=CC=CC=C4N3)S(=O)(=O)C5=CC=CC=C5

InChI

InChI=1S/C27H27N5O4S2/c1-20(33)30-15-17-31(18-16-30)22-13-11-21(12-14-22)28-26(34)19-37-27-29-24-9-5-6-10-25(24)32(27)38(35,36)23-7-3-2-4-8-23/h2-14H,15-19H2,1H3,(H,28,34)/p+1