N-[2-[4-[[1-methyl-4-(1-methylbenzimidazol-2-yl)-2-propyl-benzimidazol-1-ium-1-yl]methyl]phenyl]phenyl]sulfonylbenzamide

Systemtic Name: N-[2-[4-[[1-methyl-4-(1-methylbenzimidazol-2-yl)-2-propyl-benzimidazol-1-ium-1-yl]methyl]phenyl]phenyl]sulfonylbenzamide Openeye Name: N-[2-[4-[[1-methyl-4-(1-methylbenzimidazol-2-yl)-2-propyl-benzimidazol-1-ium-1-yl]methyl]phenyl]phenyl]sulfonylbenzamide CAS Name: N-[2-[4-[[1-methyl-4-(1-methyl-2-benzimidazolyl)-2-propyl-1-benzimidazol-1-iumyl]methyl]phenyl]phenyl]sulfonylbenzamide IUPAC Name: N-[2-[4-[[1-methyl-4-(1-methylbenzimidazol-2-yl)-2-propylbenzimidazol-1-ium-1-yl]methyl]phenyl]phenyl]sulfonylbenzamide Traditional Name: N-[2-[4-[[1-methyl-4-(1-methylbenzimidazol-2-yl)-2-propyl-benzimidazol-1-ium-1-yl]methyl]phenyl]phenyl]sulfonylbenzamide Formula: C39H36N5O3S+ MolecularWeight: 654.79984

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC2=C(C=CC=C2[N+]1(C)CC3=CC=C(C=C3)C4=CC=CC=C4S(=O)(=O)NC(=O)C5=CC=CC=C5)C6=NC7=CC=CC=C7N6C

Isomeric SMILES

CCCC1=NC2=C(C=CC=C2[N+]1(C)CC3=CC=C(C=C3)C4=CC=CC=C4S(=O)(=O)NC(=O)C5=CC=CC=C5)C6=NC7=CC=CC=C7N6C

InChI

InChI=1S/C39H35N5O3S/c1-4-13-36-41-37-31(38-40-32-18-9-10-19-33(32)43(38)2)17-12-20-34(37)44(36,3)26-27-22-24-28(25-23-27)30-16-8-11-21-35(30)48(46,47)42-39(45)29-14-6-5-7-15-29/h5-12,14-25H,4,13,26H2,1-3H3/p+1