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

Systemtic Name: N-[4-(4-cyclohexylpiperazin-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-cyclohexylpiperazin-1-yl)phenyl]acetamide CAS Name: 2-[[3-(benzenesulfonyl)-1H-benzimidazol-3-ium-2-yl]thio]-N-[4-(4-cyclohexyl-1-piperazinyl)phenyl]acetamide IUPAC Name: 2-[[3-(benzenesulfonyl)-1H-benzimidazol-3-ium-2-yl]sulfanyl]-N-[4-(4-cyclohexylpiperazin-1-yl)phenyl]acetamide Traditional Name: 2-[(3-besyl-1H-benzimidazol-3-ium-2-yl)thio]-N-[4-(4-cyclohexylpiperazino)phenyl]acetamide Formula: C31H36N5O3S2+ MolecularWeight: 590.77924

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2CCN(CC2)C3=CC=C(C=C3)NC(=O)CSC4=[N+](C5=CC=CC=C5N4)S(=O)(=O)C6=CC=CC=C6

Isomeric SMILES

C1CCC(CC1)N2CCN(CC2)C3=CC=C(C=C3)NC(=O)CSC4=[N+](C5=CC=CC=C5N4)S(=O)(=O)C6=CC=CC=C6

InChI

InChI=1S/C31H35N5O3S2/c37-30(32-24-15-17-26(18-16-24)35-21-19-34(20-22-35)25-9-3-1-4-10-25)23-40-31-33-28-13-7-8-14-29(28)36(31)41(38,39)27-11-5-2-6-12-27/h2,5-8,11-18,25H,1,3-4,9-10,19-23H2,(H,32,37)/p+1