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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CCC(=O)O)S(=O)(=O)CC2=CC=NC=C2

Isomeric SMILES

C1=CC(=CC=C1CCC(=O)O)S(=O)(=O)CC2=CC=NC=C2

InChI

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