4-[4-[2-(3-pyridin-2-ylphenyl)ethoxy]phenyl]sulfonyloxane-4-carboxylic acid

Systemtic Name: 4-[4-[2-(3-pyridin-2-ylphenyl)ethoxy]phenyl]sulfonyloxane-4-carboxylic acid Openeye Name: 4-[4-[2-[3-(2-pyridyl)phenyl]ethoxy]phenyl]sulfonyltetrahydropyran-4-carboxylic acid CAS Name: 4-[4-[2-[3-(2-pyridinyl)phenyl]ethoxy]phenyl]sulfonyl-4-oxanecarboxylic acid IUPAC Name: 4-[4-[2-(3-pyridin-2-ylphenyl)ethoxy]phenyl]sulfonyloxane-4-carboxylic acid Traditional Name: 4-[4-[2-[3-(2-pyridyl)phenyl]ethoxy]phenyl]sulfonyltetrahydropyran-4-carboxylic acid Formula: C25H25NO6S MolecularWeight: 467.5341

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCC1(C(=O)O)S(=O)(=O)C2=CC=C(C=C2)OCCC3=CC=CC(=C3)C4=CC=CC=N4

Isomeric SMILES

C1COCCC1(C(=O)O)S(=O)(=O)C2=CC=C(C=C2)OCCC3=CC=CC(=C3)C4=CC=CC=N4

InChI

InChI=1S/C25H25NO6S/c27-24(28)25(12-16-31-17-13-25)33(29,30)22-9-7-21(8-10-22)32-15-11-19-4-3-5-20(18-19)23-6-1-2-14-26-23/h1-10,14,18H,11-13,15-17H2,(H,27,28)