2-[4-(1,3-dihydroisoindol-2-ylsulfonyl)phenyl]-3H-benzimidazole-5-carboxylic acid

Systemtic Name: 2-[4-(1,3-dihydroisoindol-2-ylsulfonyl)phenyl]-3H-benzimidazole-5-carboxylic acid Openeye Name: 2-(4-isoindolin-2-ylsulfonylphenyl)-3H-benzimidazole-5-carboxylic acid CAS Name: 2-[4-(1,3-dihydroisoindol-2-ylsulfonyl)phenyl]-3H-benzimidazole-5-carboxylic acid IUPAC Name: 2-[4-(1,3-dihydroisoindol-2-ylsulfonyl)phenyl]-3H-benzimidazole-5-carboxylic acid Traditional Name: 2-(4-isoindolin-2-ylsulfonylphenyl)-3H-benzimidazole-5-carboxylic acid Formula: C22H17N3O4S MolecularWeight: 419.45308

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC=CC=C2CN1S(=O)(=O)C3=CC=C(C=C3)C4=NC5=C(N4)C=C(C=C5)C(=O)O

Isomeric SMILES

C1C2=CC=CC=C2CN1S(=O)(=O)C3=CC=C(C=C3)C4=NC5=C(N4)C=C(C=C5)C(=O)O

InChI

InChI=1S/C22H17N3O4S/c26-22(27)15-7-10-19-20(11-15)24-21(23-19)14-5-8-18(9-6-14)30(28,29)25-12-16-3-1-2-4-17(16)13-25/h1-11H,12-13H2,(H,23,24)(H,26,27)