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

Systemtic Name: 3-[2-[[4-(3-methoxypropoxy)-3-methyl-pyridin-2-yl]methylsulfinyl]benzimidazol-1-yl]sulfonyl-4-methyl-benzoic acid Openeye Name: 3-[2-[[4-(3-methoxypropoxy)-3-methyl-2-pyridyl]methylsulfinyl]benzimidazol-1-yl]sulfonyl-4-methyl-benzoic acid CAS Name: 3-[[2-[[4-(3-methoxypropoxy)-3-methyl-2-pyridinyl]methylsulfinyl]-1-benzimidazolyl]sulfonyl]-4-methylbenzoic acid IUPAC Name: 3-[2-[[4-(3-methoxypropoxy)-3-methylpyridin-2-yl]methylsulfinyl]benzimidazol-1-yl]sulfonyl-4-methylbenzoic acid Traditional Name: 3-[2-[[4-(3-methoxypropoxy)-3-methyl-2-pyridyl]methylsulfinyl]benzimidazol-1-yl]sulfonyl-4-methyl-benzoic acid Formula: C26H27N3O7S2 MolecularWeight: 557.63848

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)O)S(=O)(=O)N2C3=CC=CC=C3N=C2S(=O)CC4=NC=CC(=C4C)OCCCOC

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)O)S(=O)(=O)N2C3=CC=CC=C3N=C2S(=O)CC4=NC=CC(=C4C)OCCCOC

InChI

InChI=1S/C26H27N3O7S2/c1-17-9-10-19(25(30)31)15-24(17)38(33,34)29-22-8-5-4-7-20(22)28-26(29)37(32)16-21-18(2)23(11-12-27-21)36-14-6-13-35-3/h4-5,7-12,15H,6,13-14,16H2,1-3H3,(H,30,31)