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

Systemtic Name: 3-methylsulfonyl-4-[4-(1-oxidanyl-2-pyridin-2-ylsulfanyl-ethyl)phenoxy]benzoic acid Openeye Name: 4-[4-[1-hydroxy-2-(2-pyridylsulfanyl)ethyl]phenoxy]-3-methylsulfonyl-benzoic acid CAS Name: 4-[4-[1-hydroxy-2-(2-pyridinylthio)ethyl]phenoxy]-3-methylsulfonylbenzoic acid IUPAC Name: 4-[4-(1-hydroxy-2-pyridin-2-ylsulfanylethyl)phenoxy]-3-methylsulfonylbenzoic acid Traditional Name: 4-[4-[1-hydroxy-2-(2-pyridylthio)ethyl]phenoxy]-3-mesyl-benzoic acid Formula: C21H19NO6S2 MolecularWeight: 445.50866

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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=CC=CC=N3)O

Isomeric SMILES

CS(=O)(=O)C1=C(C=CC(=C1)C(=O)O)OC2=CC=C(C=C2)C(CSC3=CC=CC=N3)O

InChI

InChI=1S/C21H19NO6S2/c1-30(26,27)19-12-15(21(24)25)7-10-18(19)28-16-8-5-14(6-9-16)17(23)13-29-20-4-2-3-11-22-20/h2-12,17,23H,13H2,1H3,(H,24,25)