3-[4-(pyridin-2-ylmethylsulfonyl)phenyl]propanoic acid

Systemtic Name: 3-[4-(pyridin-2-ylmethylsulfonyl)phenyl]propanoic acid Openeye Name: 3-[4-(2-pyridylmethylsulfonyl)phenyl]propanoic acid CAS Name: 3-[4-(2-pyridinylmethylsulfonyl)phenyl]propanoic acid IUPAC Name: 3-[4-(pyridin-2-ylmethylsulfonyl)phenyl]propanoic acid Traditional Name: 3-[4-(2-pyridylmethylsulfonyl)phenyl]propionic acid Formula: C15H15NO4S MolecularWeight: 305.3489

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)CS(=O)(=O)C2=CC=C(C=C2)CCC(=O)O

Isomeric SMILES

C1=CC=NC(=C1)CS(=O)(=O)C2=CC=C(C=C2)CCC(=O)O

InChI

InChI=1S/C15H15NO4S/c17-15(18)9-6-12-4-7-14(8-5-12)21(19,20)11-13-3-1-2-10-16-13/h1-5,7-8,10H,6,9,11H2,(H,17,18)