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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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