tert-butyl 4-[4-[2-(3-pyridin-2-ylphenyl)ethoxy]phenyl]sulfonyloxane-4-carboxylate

Systemtic Name: tert-butyl 4-[4-[2-(3-pyridin-2-ylphenyl)ethoxy]phenyl]sulfonyloxane-4-carboxylate Openeye Name: tert-butyl 4-[4-[2-[3-(2-pyridyl)phenyl]ethoxy]phenyl]sulfonyltetrahydropyran-4-carboxylate CAS Name: 4-[4-[2-[3-(2-pyridinyl)phenyl]ethoxy]phenyl]sulfonyl-4-oxanecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[4-[2-(3-pyridin-2-ylphenyl)ethoxy]phenyl]sulfonyloxane-4-carboxylate Traditional Name: 4-[4-[2-[3-(2-pyridyl)phenyl]ethoxy]phenyl]sulfonyltetrahydropyran-4-carboxylic acid tert-butyl ester Formula: C29H33NO6S MolecularWeight: 523.64042

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1(CCOCC1)S(=O)(=O)C2=CC=C(C=C2)OCCC3=CC=CC(=C3)C4=CC=CC=N4

Isomeric SMILES

CC(C)(C)OC(=O)C1(CCOCC1)S(=O)(=O)C2=CC=C(C=C2)OCCC3=CC=CC(=C3)C4=CC=CC=N4

InChI

InChI=1S/C29H33NO6S/c1-28(2,3)36-27(31)29(15-19-34-20-16-29)37(32,33)25-12-10-24(11-13-25)35-18-14-22-7-6-8-23(21-22)26-9-4-5-17-30-26/h4-13,17,21H,14-16,18-20H2,1-3H3