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

Systemtic Name: 2-[4-[[1-(hydroxymethyl)-1,3-dihydroisoindol-2-yl]sulfonyl]phenyl]-3H-benzimidazole-5-carboxylic acid Openeye Name: 2-[4-[1-(hydroxymethyl)isoindolin-2-yl]sulfonylphenyl]-3H-benzimidazole-5-carboxylic acid CAS Name: 2-[4-[[1-(hydroxymethyl)-1,3-dihydroisoindol-2-yl]sulfonyl]phenyl]-3H-benzimidazole-5-carboxylic acid IUPAC Name: 2-[4-[[1-(hydroxymethyl)-1,3-dihydroisoindol-2-yl]sulfonyl]phenyl]-3H-benzimidazole-5-carboxylic acid Traditional Name: 2-[4-(1-methylolisoindolin-2-yl)sulfonylphenyl]-3H-benzimidazole-5-carboxylic acid Formula: C23H19N3O5S MolecularWeight: 449.47906

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC=CC=C2C(N1S(=O)(=O)C3=CC=C(C=C3)C4=NC5=C(N4)C=C(C=C5)C(=O)O)CO

Isomeric SMILES

C1C2=CC=CC=C2C(N1S(=O)(=O)C3=CC=C(C=C3)C4=NC5=C(N4)C=C(C=C5)C(=O)O)CO

InChI

InChI=1S/C23H19N3O5S/c27-13-21-18-4-2-1-3-16(18)12-26(21)32(30,31)17-8-5-14(6-9-17)22-24-19-10-7-15(23(28)29)11-20(19)25-22/h1-11,21,27H,12-13H2,(H,24,25)(H,28,29)