3-[4-[6-methoxy-2-[(4-methoxy-3,5-dimethyl-pyridin-2-yl)methylsulfinyl]benzimidazol-1-yl]sulfonylphenyl]propanoic acid

Systemtic Name: 3-[4-[6-methoxy-2-[(4-methoxy-3,5-dimethyl-pyridin-2-yl)methylsulfinyl]benzimidazol-1-yl]sulfonylphenyl]propanoic acid Openeye Name: 3-[4-[6-methoxy-2-[(4-methoxy-3,5-dimethyl-2-pyridyl)methylsulfinyl]benzimidazol-1-yl]sulfonylphenyl]propanoic acid CAS Name: 3-[4-[[6-methoxy-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]-1-benzimidazolyl]sulfonyl]phenyl]propanoic acid IUPAC Name: 3-[4-[6-methoxy-2-[(4-methoxy-3,5-dimethylpyridin-2-yl)methylsulfinyl]benzimidazol-1-yl]sulfonylphenyl]propanoic acid Traditional Name: 3-[4-[6-methoxy-2-[(4-methoxy-3,5-dimethyl-2-pyridyl)methylsulfinyl]benzimidazol-1-yl]sulfonylphenyl]propionic acid Formula: C26H27N3O7S2 MolecularWeight: 557.63848

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(C(=C1OC)C)CS(=O)C2=NC3=C(N2S(=O)(=O)C4=CC=C(C=C4)CCC(=O)O)C=C(C=C3)OC

Isomeric SMILES

CC1=CN=C(C(=C1OC)C)CS(=O)C2=NC3=C(N2S(=O)(=O)C4=CC=C(C=C4)CCC(=O)O)C=C(C=C3)OC

InChI

InChI=1S/C26H27N3O7S2/c1-16-14-27-22(17(2)25(16)36-4)15-37(32)26-28-21-11-8-19(35-3)13-23(21)29(26)38(33,34)20-9-5-18(6-10-20)7-12-24(30)31/h5-6,8-11,13-14H,7,12,15H2,1-4H3,(H,30,31)