4-[4-[2-(1H-benzimidazol-2-ylsulfanyl)-1-oxidanyl-ethyl]phenoxy]-3-methylsulfonyl-benzoic acid

Systemtic Name: 4-[4-[2-(1H-benzimidazol-2-ylsulfanyl)-1-oxidanyl-ethyl]phenoxy]-3-methylsulfonyl-benzoic acid Openeye Name: 4-[4-[2-(1H-benzimidazol-2-ylsulfanyl)-1-hydroxy-ethyl]phenoxy]-3-methylsulfonyl-benzoic acid CAS Name: 4-[4-[2-(1H-benzimidazol-2-ylthio)-1-hydroxyethyl]phenoxy]-3-methylsulfonylbenzoic acid IUPAC Name: 4-[4-[2-(1H-benzimidazol-2-ylsulfanyl)-1-hydroxyethyl]phenoxy]-3-methylsulfonylbenzoic acid Traditional Name: 4-[4-[2-(1H-benzimidazol-2-ylthio)-1-hydroxy-ethyl]phenoxy]-3-mesyl-benzoic acid Formula: C23H20N2O6S2 MolecularWeight: 484.5447

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=C(C=CC(=C1)C(=O)O)OC2=CC=C(C=C2)C(CSC3=NC4=CC=CC=C4N3)O

Isomeric SMILES

CS(=O)(=O)C1=C(C=CC(=C1)C(=O)O)OC2=CC=C(C=C2)C(CSC3=NC4=CC=CC=C4N3)O

InChI

InChI=1S/C23H20N2O6S2/c1-33(29,30)21-12-15(22(27)28)8-11-20(21)31-16-9-6-14(7-10-16)19(26)13-32-23-24-17-4-2-3-5-18(17)25-23/h2-12,19,26H,13H2,1H3,(H,24,25)(H,27,28)