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

Systemtic Name: 2-[(3-methyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]-N-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]ethanamide Openeye Name: 2-[(3-methyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]-N-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]acetamide CAS Name: 2-[(3-methyl-1H-benzimidazol-3-ium-2-yl)thio]-N-[4-(4-methylsulfonyl-1-piperazinyl)phenyl]acetamide IUPAC Name: 2-[(3-methyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]-N-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]acetamide Traditional Name: N-[4-(4-mesylpiperazino)phenyl]-2-[(3-methyl-1H-benzimidazol-3-ium-2-yl)thio]acetamide Formula: C21H26N5O3S2+ MolecularWeight: 460.59284

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(NC2=CC=CC=C21)SCC(=O)NC3=CC=C(C=C3)N4CCN(CC4)S(=O)(=O)C

Isomeric SMILES

C[N+]1=C(NC2=CC=CC=C21)SCC(=O)NC3=CC=C(C=C3)N4CCN(CC4)S(=O)(=O)C

InChI

InChI=1S/C21H25N5O3S2/c1-24-19-6-4-3-5-18(19)23-21(24)30-15-20(27)22-16-7-9-17(10-8-16)25-11-13-26(14-12-25)31(2,28)29/h3-10H,11-15H2,1-2H3,(H,22,27)/p+1