methyl 3-[methylsulfonyl-(3-oxidanylazetidin-1-yl)methyl]benzoate

Systemtic Name: methyl 3-[methylsulfonyl-(3-oxidanylazetidin-1-yl)methyl]benzoate Openeye Name: methyl 3-[(3-hydroxyazetidin-1-yl)-methylsulfonyl-methyl]benzoate CAS Name: 3-[(3-hydroxy-1-azetidinyl)-methylsulfonylmethyl]benzoic acid methyl ester IUPAC Name: methyl 3-[(3-hydroxyazetidin-1-yl)-methylsulfonylmethyl]benzoate Traditional Name: 3-[(3-hydroxyazetidin-1-yl)-mesyl-methyl]benzoic acid methyl ester Formula: C13H17NO5S MolecularWeight: 299.34278

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)C(N2CC(C2)O)S(=O)(=O)C

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)C(N2CC(C2)O)S(=O)(=O)C

InChI

InChI=1S/C13H17NO5S/c1-19-13(16)10-5-3-4-9(6-10)12(20(2,17)18)14-7-11(15)8-14/h3-6,11-12,15H,7-8H2,1-2H3