3-[2-(3-methylphenyl)-3,5-dihydroimidazo[4,5-f]benzimidazol-6-yl]benzenesulfonic acid

Systemtic Name: 3-[2-(3-methylphenyl)-3,5-dihydroimidazo[4,5-f]benzimidazol-6-yl]benzenesulfonic acid Openeye Name: 3-[2-(m-tolyl)-3,5-dihydroimidazo[4,5-f]benzimidazol-6-yl]benzenesulfonic acid CAS Name: 3-[2-(3-methylphenyl)-3,5-dihydroimidazo[4,5-f]benzimidazol-6-yl]benzenesulfonic acid IUPAC Name: 3-[2-(3-methylphenyl)-3,5-dihydroimidazo[4,5-f]benzimidazol-6-yl]benzenesulfonic acid Traditional Name: 3-[2-(m-tolyl)-3,5-dihydroimidazo[4,5-f]benzimidazol-6-yl]besylic acid Formula: C21H16N4O3S MolecularWeight: 404.44174

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=NC3=CC4=C(C=C3N2)NC(=N4)C5=CC(=CC=C5)S(=O)(=O)O

Isomeric SMILES

CC1=CC=CC(=C1)C2=NC3=CC4=C(C=C3N2)NC(=N4)C5=CC(=CC=C5)S(=O)(=O)O

InChI

InChI=1S/C21H16N4O3S/c1-12-4-2-5-13(8-12)20-22-16-10-18-19(11-17(16)23-20)25-21(24-18)14-6-3-7-15(9-14)29(26,27)28/h2-11H,1H3,(H,22,23)(H,24,25)(H,26,27,28)