tert-butyl 3-(4-pyridin-4-ylphenyl)sulfonylpropanoate

Systemtic Name: tert-butyl 3-(4-pyridin-4-ylphenyl)sulfonylpropanoate Openeye Name: tert-butyl 3-[4-(4-pyridyl)phenyl]sulfonylpropanoate CAS Name: 3-(4-pyridin-4-ylphenyl)sulfonylpropanoic acid tert-butyl ester IUPAC Name: tert-butyl 3-(4-pyridin-4-ylphenyl)sulfonylpropanoate Traditional Name: 3-[4-(4-pyridyl)phenyl]sulfonylpropionic acid tert-butyl ester Formula: C18H21NO4S MolecularWeight: 347.42864

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)C2=CC=NC=C2

Isomeric SMILES

CC(C)(C)OC(=O)CCS(=O)(=O)C1=CC=C(C=C1)C2=CC=NC=C2

InChI

InChI=1S/C18H21NO4S/c1-18(2,3)23-17(20)10-13-24(21,22)16-6-4-14(5-7-16)15-8-11-19-12-9-15/h4-9,11-12H,10,13H2,1-3H3