2-[4-(2-pyridin-2-ylethynyl)phenyl]sulfonylpropanoic acid

Systemtic Name: 2-[4-(2-pyridin-2-ylethynyl)phenyl]sulfonylpropanoic acid Openeye Name: 2-[4-[2-(2-pyridyl)ethynyl]phenyl]sulfonylpropanoic acid CAS Name: 2-[4-[2-(2-pyridinyl)ethynyl]phenyl]sulfonylpropanoic acid IUPAC Name: 2-[4-(2-pyridin-2-ylethynyl)phenyl]sulfonylpropanoic acid Traditional Name: 2-[4-[2-(2-pyridyl)ethynyl]phenyl]sulfonylpropionic acid Formula: C16H13NO4S MolecularWeight: 315.34372

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)S(=O)(=O)C1=CC=C(C=C1)C#CC2=CC=CC=N2

Isomeric SMILES

CC(C(=O)O)S(=O)(=O)C1=CC=C(C=C1)C#CC2=CC=CC=N2

InChI

InChI=1S/C16H13NO4S/c1-12(16(18)19)22(20,21)15-9-6-13(7-10-15)5-8-14-4-2-3-11-17-14/h2-4,6-7,9-12H,1H3,(H,18,19)