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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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