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

Systemtic Name: N-[2-(4-methylsulfonylpiperazin-1-yl)phenyl]-2-[[3-(phenylmethyl)-1H-benzimidazol-3-ium-2-yl]sulfanyl]ethanamide Openeye Name: 2-[(3-benzyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]-N-[2-(4-methylsulfonylpiperazin-1-yl)phenyl]acetamide CAS Name: N-[2-(4-methylsulfonyl-1-piperazinyl)phenyl]-2-[[3-(phenylmethyl)-1H-benzimidazol-3-ium-2-yl]thio]acetamide IUPAC Name: 2-[(3-benzyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]-N-[2-(4-methylsulfonylpiperazin-1-yl)phenyl]acetamide Traditional Name: 2-[(3-benzyl-1H-benzimidazol-3-ium-2-yl)thio]-N-[2-(4-mesylpiperazino)phenyl]acetamide Formula: C27H30N5O3S2+ MolecularWeight: 536.6888

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCN(CC1)C2=CC=CC=C2NC(=O)CSC3=[N+](C4=CC=CC=C4N3)CC5=CC=CC=C5

Isomeric SMILES

CS(=O)(=O)N1CCN(CC1)C2=CC=CC=C2NC(=O)CSC3=[N+](C4=CC=CC=C4N3)CC5=CC=CC=C5

InChI

InChI=1S/C27H29N5O3S2/c1-37(34,35)31-17-15-30(16-18-31)24-13-7-5-11-22(24)28-26(33)20-36-27-29-23-12-6-8-14-25(23)32(27)19-21-9-3-2-4-10-21/h2-14H,15-20H2,1H3,(H,28,33)/p+1