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

Systemtic Name: tert-butyl 4-[4-[2-(3-cyanophenoxy)ethoxy]phenyl]sulfonyloxane-4-carboxylate Openeye Name: tert-butyl 4-[4-[2-(3-cyanophenoxy)ethoxy]phenyl]sulfonyltetrahydropyran-4-carboxylate CAS Name: 4-[4-[2-(3-cyanophenoxy)ethoxy]phenyl]sulfonyl-4-oxanecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[4-[2-(3-cyanophenoxy)ethoxy]phenyl]sulfonyloxane-4-carboxylate Traditional Name: 4-[4-[2-(3-cyanophenoxy)ethoxy]phenyl]sulfonyltetrahydropyran-4-carboxylic acid tert-butyl ester Formula: C25H29NO7S MolecularWeight: 487.56526

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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)OCCOC3=CC=CC(=C3)C#N

Isomeric SMILES

CC(C)(C)OC(=O)C1(CCOCC1)S(=O)(=O)C2=CC=C(C=C2)OCCOC3=CC=CC(=C3)C#N

InChI

InChI=1S/C25H29NO7S/c1-24(2,3)33-23(27)25(11-13-30-14-12-25)34(28,29)22-9-7-20(8-10-22)31-15-16-32-21-6-4-5-19(17-21)18-26/h4-10,17H,11-16H2,1-3H3