2-[2-(benzimidazol-1-ylsulfonyl)phenoxy]-2-[(3,4-dimethoxypyridin-2-yl)methylsulfinyl]ethanoic acid

Systemtic Name: 2-[2-(benzimidazol-1-ylsulfonyl)phenoxy]-2-[(3,4-dimethoxypyridin-2-yl)methylsulfinyl]ethanoic acid Openeye Name: 2-[2-(benzimidazol-1-ylsulfonyl)phenoxy]-2-[(3,4-dimethoxy-2-pyridyl)methylsulfinyl]acetic acid CAS Name: 2-[2-(1-benzimidazolylsulfonyl)phenoxy]-2-[(3,4-dimethoxy-2-pyridinyl)methylsulfinyl]acetic acid IUPAC Name: 2-[2-(benzimidazol-1-ylsulfonyl)phenoxy]-2-[(3,4-dimethoxypyridin-2-yl)methylsulfinyl]acetic acid Traditional Name: 2-[2-(benzimidazol-1-ylsulfonyl)phenoxy]-2-[(3,4-dimethoxy-2-pyridyl)methylsulfinyl]acetic acid Formula: C23H21N3O8S2 MolecularWeight: 531.55814

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=NC=C1)CS(=O)C(C(=O)O)OC2=CC=CC=C2S(=O)(=O)N3C=NC4=CC=CC=C43)OC

Isomeric SMILES

COC1=C(C(=NC=C1)CS(=O)C(C(=O)O)OC2=CC=CC=C2S(=O)(=O)N3C=NC4=CC=CC=C43)OC

InChI

InChI=1S/C23H21N3O8S2/c1-32-19-11-12-24-16(21(19)33-2)13-35(29)23(22(27)28)34-18-9-5-6-10-20(18)36(30,31)26-14-25-15-7-3-4-8-17(15)26/h3-12,14,23H,13H2,1-2H3,(H,27,28)