3-(pyridin-2-ylmethylsulfonyl)propanoic acid

Systemtic Name: 3-(pyridin-2-ylmethylsulfonyl)propanoic acid Openeye Name: 3-(2-pyridylmethylsulfonyl)propanoic acid CAS Name: 3-(2-pyridinylmethylsulfonyl)propanoic acid IUPAC Name: 3-(pyridin-2-ylmethylsulfonyl)propanoic acid Traditional Name: 3-(2-pyridylmethylsulfonyl)propionic acid Formula: C9H11NO4S MolecularWeight: 229.25294

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H11NO4S/c11-9(12)4-6-15(13,14)7-8-3-1-2-5-10-8/h1-3,5H,4,6-7H2,(H,11,12)