3-[2-methyl-5-[2-(3-methylphenyl)-3H-benzimidazol-5-yl]benzimidazol-1-yl]propane-1-sulfonic acid

Systemtic Name: 3-[2-methyl-5-[2-(3-methylphenyl)-3H-benzimidazol-5-yl]benzimidazol-1-yl]propane-1-sulfonic acid Openeye Name: 3-[2-methyl-5-[2-(m-tolyl)-3H-benzimidazol-5-yl]benzimidazol-1-yl]propane-1-sulfonic acid CAS Name: 3-[2-methyl-5-[2-(3-methylphenyl)-3H-benzimidazol-5-yl]-1-benzimidazolyl]-1-propanesulfonic acid IUPAC Name: 3-[2-methyl-5-[2-(3-methylphenyl)-3H-benzimidazol-5-yl]benzimidazol-1-yl]propane-1-sulfonic acid Traditional Name: 3-[2-methyl-5-[2-(m-tolyl)-3H-benzimidazol-5-yl]benzimidazol-1-yl]propane-1-sulfonic acid Formula: C25H24N4O3S MolecularWeight: 460.54806

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=NC3=C(N2)C=C(C=C3)C4=CC5=C(C=C4)N(C(=N5)C)CCCS(=O)(=O)O

Isomeric SMILES

CC1=CC=CC(=C1)C2=NC3=C(N2)C=C(C=C3)C4=CC5=C(C=C4)N(C(=N5)C)CCCS(=O)(=O)O

InChI

InChI=1S/C25H24N4O3S/c1-16-5-3-6-20(13-16)25-27-21-9-7-18(14-22(21)28-25)19-8-10-24-23(15-19)26-17(2)29(24)11-4-12-33(30,31)32/h3,5-10,13-15H,4,11-12H2,1-2H3,(H,27,28)(H,30,31,32)