3-[4-(azetidin-1-ylsulfonyl)phenyl]propanoic acid

Systemtic Name: 3-[4-(azetidin-1-ylsulfonyl)phenyl]propanoic acid Openeye Name: 3-[4-(azetidin-1-ylsulfonyl)phenyl]propanoic acid CAS Name: 3-[4-(1-azetidinylsulfonyl)phenyl]propanoic acid IUPAC Name: 3-[4-(azetidin-1-ylsulfonyl)phenyl]propanoic acid Traditional Name: 3-[4-(azetidin-1-ylsulfonyl)phenyl]propionic acid Formula: C12H15NO4S MolecularWeight: 269.3168

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C1)S(=O)(=O)C2=CC=C(C=C2)CCC(=O)O

Isomeric SMILES

C1CN(C1)S(=O)(=O)C2=CC=C(C=C2)CCC(=O)O

InChI

InChI=1S/C12H15NO4S/c14-12(15)7-4-10-2-5-11(6-3-10)18(16,17)13-8-1-9-13/h2-3,5-6H,1,4,7-9H2,(H,14,15)