3-[5-methoxy-2-[(3,4,5-trimethoxypyridin-2-yl)methylsulfinyl]benzimidazol-1-yl]sulfonylbenzoic acid

Systemtic Name: 3-[5-methoxy-2-[(3,4,5-trimethoxypyridin-2-yl)methylsulfinyl]benzimidazol-1-yl]sulfonylbenzoic acid Openeye Name: 3-[5-methoxy-2-[(3,4,5-trimethoxy-2-pyridyl)methylsulfinyl]benzimidazol-1-yl]sulfonylbenzoic acid CAS Name: 3-[[5-methoxy-2-[(3,4,5-trimethoxy-2-pyridinyl)methylsulfinyl]-1-benzimidazolyl]sulfonyl]benzoic acid IUPAC Name: 3-[5-methoxy-2-[(3,4,5-trimethoxypyridin-2-yl)methylsulfinyl]benzimidazol-1-yl]sulfonylbenzoic acid Traditional Name: 3-[5-methoxy-2-[(3,4,5-trimethoxy-2-pyridyl)methylsulfinyl]benzimidazol-1-yl]sulfonylbenzoic acid Formula: C24H23N3O9S2 MolecularWeight: 561.58412

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N(C(=N2)S(=O)CC3=NC=C(C(=C3OC)OC)OC)S(=O)(=O)C4=CC=CC(=C4)C(=O)O

Isomeric SMILES

COC1=CC2=C(C=C1)N(C(=N2)S(=O)CC3=NC=C(C(=C3OC)OC)OC)S(=O)(=O)C4=CC=CC(=C4)C(=O)O

InChI

InChI=1S/C24H23N3O9S2/c1-33-15-8-9-19-17(11-15)26-24(27(19)38(31,32)16-7-5-6-14(10-16)23(28)29)37(30)13-18-21(35-3)22(36-4)20(34-2)12-25-18/h5-12H,13H2,1-4H3,(H,28,29)