3-[4-(2-pyridin-2-ylethynyl)phenyl]sulfonylpropanoic acid

Systemtic Name: 3-[4-(2-pyridin-2-ylethynyl)phenyl]sulfonylpropanoic acid Openeye Name: 3-[4-[2-(2-pyridyl)ethynyl]phenyl]sulfonylpropanoic acid CAS Name: 3-[4-[2-(2-pyridinyl)ethynyl]phenyl]sulfonylpropanoic acid IUPAC Name: 3-[4-(2-pyridin-2-ylethynyl)phenyl]sulfonylpropanoic acid Traditional Name: 3-[4-[2-(2-pyridyl)ethynyl]phenyl]sulfonylpropionic acid Formula: C16H13NO4S MolecularWeight: 315.34372

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)C#CC2=CC=C(C=C2)S(=O)(=O)CCC(=O)O

Isomeric SMILES

C1=CC=NC(=C1)C#CC2=CC=C(C=C2)S(=O)(=O)CCC(=O)O

InChI

InChI=1S/C16H13NO4S/c18-16(19)10-12-22(20,21)15-8-5-13(6-9-15)4-7-14-3-1-2-11-17-14/h1-3,5-6,8-9,11H,10,12H2,(H,18,19)