tert-butyl 3-[4-(2-pyridin-2-ylethynyl)phenyl]sulfonylpropanoate

Systemtic Name: tert-butyl 3-[4-(2-pyridin-2-ylethynyl)phenyl]sulfonylpropanoate Openeye Name: tert-butyl 3-[4-[2-(2-pyridyl)ethynyl]phenyl]sulfonylpropanoate CAS Name: 3-[4-[2-(2-pyridinyl)ethynyl]phenyl]sulfonylpropanoic acid tert-butyl ester IUPAC Name: tert-butyl 3-[4-(2-pyridin-2-ylethynyl)phenyl]sulfonylpropanoate Traditional Name: 3-[4-[2-(2-pyridyl)ethynyl]phenyl]sulfonylpropionic acid tert-butyl ester Formula: C20H21NO4S MolecularWeight: 371.45004

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CCS(=O)(=O)C1=CC=C(C=C1)C#CC2=CC=CC=N2

Isomeric SMILES

CC(C)(C)OC(=O)CCS(=O)(=O)C1=CC=C(C=C1)C#CC2=CC=CC=N2

InChI

InChI=1S/C20H21NO4S/c1-20(2,3)25-19(22)13-15-26(23,24)18-11-8-16(9-12-18)7-10-17-6-4-5-14-21-17/h4-6,8-9,11-12,14H,13,15H2,1-3H3