2-[[4-(methylsulfonylmethyl)phenyl]carbonylamino]butanoic acid

Systemtic Name: 2-[[4-(methylsulfonylmethyl)phenyl]carbonylamino]butanoic acid Openeye Name: 2-[[4-(methylsulfonylmethyl)benzoyl]amino]butanoic acid CAS Name: 2-[[[4-(methylsulfonylmethyl)phenyl]-oxomethyl]amino]butanoic acid IUPAC Name: 2-[[4-(methylsulfonylmethyl)benzoyl]amino]butanoic acid Traditional Name: 2-[[4-(mesylmethyl)benzoyl]amino]butyric acid Formula: C13H17NO5S MolecularWeight: 299.34278

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17NO5S/c1-3-11(13(16)17)14-12(15)10-6-4-9(5-7-10)8-20(2,18)19/h4-7,11H,3,8H2,1-2H3,(H,14,15)(H,16,17)