1-cyclohexyl-3-[2-methyl-3-[1-methyl-4-(1-methylbenzimidazol-2-yl)-2-propyl-benzimidazol-1-ium-1-yl]-6-phenyl-phenyl]sulfonyl-urea

Systemtic Name: 1-cyclohexyl-3-[2-methyl-3-[1-methyl-4-(1-methylbenzimidazol-2-yl)-2-propyl-benzimidazol-1-ium-1-yl]-6-phenyl-phenyl]sulfonyl-urea Openeye Name: 1-cyclohexyl-3-[2-methyl-3-[1-methyl-4-(1-methylbenzimidazol-2-yl)-2-propyl-benzimidazol-1-ium-1-yl]-6-phenyl-phenyl]sulfonyl-urea CAS Name: 1-cyclohexyl-3-[2-methyl-3-[1-methyl-4-(1-methyl-2-benzimidazolyl)-2-propyl-1-benzimidazol-1-iumyl]-6-phenylphenyl]sulfonylurea IUPAC Name: 1-cyclohexyl-3-[2-methyl-3-[1-methyl-4-(1-methylbenzimidazol-2-yl)-2-propylbenzimidazol-1-ium-1-yl]-6-phenylphenyl]sulfonylurea Traditional Name: 1-cyclohexyl-3-[2-methyl-3-[1-methyl-4-(1-methylbenzimidazol-2-yl)-2-propyl-benzimidazol-1-ium-1-yl]-6-phenyl-phenyl]sulfonyl-urea Formula: C39H43N6O3S+ MolecularWeight: 675.86212

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC2=C(C=CC=C2[N+]1(C)C3=C(C(=C(C=C3)C4=CC=CC=C4)S(=O)(=O)NC(=O)NC5CCCCC5)C)C6=NC7=CC=CC=C7N6C

Isomeric SMILES

CCCC1=NC2=C(C=CC=C2[N+]1(C)C3=C(C(=C(C=C3)C4=CC=CC=C4)S(=O)(=O)NC(=O)NC5CCCCC5)C)C6=NC7=CC=CC=C7N6C

InChI

InChI=1S/C39H42N6O3S/c1-5-15-35-42-36-30(38-41-31-21-12-13-22-32(31)44(38)3)20-14-23-34(36)45(35,4)33-25-24-29(27-16-8-6-9-17-27)37(26(33)2)49(47,48)43-39(46)40-28-18-10-7-11-19-28/h6,8-9,12-14,16-17,20-25,28H,5,7,10-11,15,18-19H2,1-4H3,(H-,40,43,46)/p+1