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

Systemtic Name: 3-[[4-(methylsulfonylmethyl)phenyl]carbonylamino]butanoic acid Openeye Name: 3-[[4-(methylsulfonylmethyl)benzoyl]amino]butanoic acid CAS Name: 3-[[[4-(methylsulfonylmethyl)phenyl]-oxomethyl]amino]butanoic acid IUPAC Name: 3-[[4-(methylsulfonylmethyl)benzoyl]amino]butanoic acid Traditional Name: 3-[[4-(mesylmethyl)benzoyl]amino]butyric acid Formula: C13H17NO5S MolecularWeight: 299.34278

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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