3-[2-[[4-(3-methoxypropoxy)-3-methyl-pyridin-2-yl]methylsulfinyl]benzimidazol-1-yl]sulfonylbenzoic acid

Systemtic Name: 3-[2-[[4-(3-methoxypropoxy)-3-methyl-pyridin-2-yl]methylsulfinyl]benzimidazol-1-yl]sulfonylbenzoic acid Openeye Name: 3-[2-[[4-(3-methoxypropoxy)-3-methyl-2-pyridyl]methylsulfinyl]benzimidazol-1-yl]sulfonylbenzoic acid CAS Name: 3-[[2-[[4-(3-methoxypropoxy)-3-methyl-2-pyridinyl]methylsulfinyl]-1-benzimidazolyl]sulfonyl]benzoic acid IUPAC Name: 3-[2-[[4-(3-methoxypropoxy)-3-methylpyridin-2-yl]methylsulfinyl]benzimidazol-1-yl]sulfonylbenzoic acid Traditional Name: 3-[2-[[4-(3-methoxypropoxy)-3-methyl-2-pyridyl]methylsulfinyl]benzimidazol-1-yl]sulfonylbenzoic acid Formula: C25H25N3O7S2 MolecularWeight: 543.6119

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CN=C1CS(=O)C2=NC3=CC=CC=C3N2S(=O)(=O)C4=CC=CC(=C4)C(=O)O)OCCCOC

Isomeric SMILES

CC1=C(C=CN=C1CS(=O)C2=NC3=CC=CC=C3N2S(=O)(=O)C4=CC=CC(=C4)C(=O)O)OCCCOC

InChI

InChI=1S/C25H25N3O7S2/c1-17-21(26-12-11-23(17)35-14-6-13-34-2)16-36(31)25-27-20-9-3-4-10-22(20)28(25)37(32,33)19-8-5-7-18(15-19)24(29)30/h3-5,7-12,15H,6,13-14,16H2,1-2H3,(H,29,30)