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

Systemtic Name: N-[4-(4-methylpiperazin-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-[4-(4-methylpiperazin-1-yl)phenyl]acetamide CAS Name: 2-[[3-(benzenesulfonyl)-1H-benzimidazol-3-ium-2-yl]thio]-N-[4-(4-methyl-1-piperazinyl)phenyl]acetamide IUPAC Name: 2-[[3-(benzenesulfonyl)-1H-benzimidazol-3-ium-2-yl]sulfanyl]-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide Traditional Name: 2-[(3-besyl-1H-benzimidazol-3-ium-2-yl)thio]-N-[4-(4-methylpiperazino)phenyl]acetamide Formula: C26H28N5O3S2+ MolecularWeight: 522.66222

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=CC=C(C=C2)NC(=O)CSC3=[N+](C4=CC=CC=C4N3)S(=O)(=O)C5=CC=CC=C5

Isomeric SMILES

CN1CCN(CC1)C2=CC=C(C=C2)NC(=O)CSC3=[N+](C4=CC=CC=C4N3)S(=O)(=O)C5=CC=CC=C5

InChI

InChI=1S/C26H27N5O3S2/c1-29-15-17-30(18-16-29)21-13-11-20(12-14-21)27-25(32)19-35-26-28-23-9-5-6-10-24(23)31(26)36(33,34)22-7-3-2-4-8-22/h2-14H,15-19H2,1H3,(H,27,32)/p+1