3-[[4-(methylsulfonylmethyl)phenyl]carbonylamino]propanoic acid

Systemtic Name: 3-[[4-(methylsulfonylmethyl)phenyl]carbonylamino]propanoic acid Openeye Name: 3-[[4-(methylsulfonylmethyl)benzoyl]amino]propanoic acid CAS Name: 3-[[[4-(methylsulfonylmethyl)phenyl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-[[4-(methylsulfonylmethyl)benzoyl]amino]propanoic acid Traditional Name: 3-[[4-(mesylmethyl)benzoyl]amino]propionic acid Formula: C12H15NO5S MolecularWeight: 285.3162

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)CC1=CC=C(C=C1)C(=O)NCCC(=O)O

Isomeric SMILES

CS(=O)(=O)CC1=CC=C(C=C1)C(=O)NCCC(=O)O

InChI

InChI=1S/C12H15NO5S/c1-19(17,18)8-9-2-4-10(5-3-9)12(16)13-7-6-11(14)15/h2-5H,6-8H2,1H3,(H,13,16)(H,14,15)