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

Systemtic Name: 3-methylsulfonyl-4-[4-(1-oxidanyl-2-quinolin-2-ylsulfanyl-ethyl)phenoxy]benzoic acid Openeye Name: 4-[4-[1-hydroxy-2-(2-quinolylsulfanyl)ethyl]phenoxy]-3-methylsulfonyl-benzoic acid CAS Name: 4-[4-[1-hydroxy-2-(2-quinolinylthio)ethyl]phenoxy]-3-methylsulfonylbenzoic acid IUPAC Name: 4-[4-(1-hydroxy-2-quinolin-2-ylsulfanylethyl)phenoxy]-3-methylsulfonylbenzoic acid Traditional Name: 4-[4-[1-hydroxy-2-(2-quinolylthio)ethyl]phenoxy]-3-mesyl-benzoic acid Formula: C25H21NO6S2 MolecularWeight: 495.56734

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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=C4C=C3)O

Isomeric SMILES

CS(=O)(=O)C1=C(C=CC(=C1)C(=O)O)OC2=CC=C(C=C2)C(CSC3=NC4=CC=CC=C4C=C3)O

InChI

InChI=1S/C25H21NO6S2/c1-34(30,31)23-14-18(25(28)29)8-12-22(23)32-19-10-6-17(7-11-19)21(27)15-33-24-13-9-16-4-2-3-5-20(16)26-24/h2-14,21,27H,15H2,1H3,(H,28,29)