4-methylsulfonyl-2-(2-phenoxyethanoylamino)butanoic acid

Systemtic Name: 4-methylsulfonyl-2-(2-phenoxyethanoylamino)butanoic acid Openeye Name: 4-methylsulfonyl-2-[(2-phenoxyacetyl)amino]butanoic acid CAS Name: 4-methylsulfonyl-2-[(1-oxo-2-phenoxyethyl)amino]butanoic acid IUPAC Name: 4-methylsulfonyl-2-[(2-phenoxyacetyl)amino]butanoic acid Traditional Name: 4-mesyl-2-[(2-phenoxyacetyl)amino]butyric acid Formula: C13H17NO6S MolecularWeight: 315.34218

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)CCC(C(=O)O)NC(=O)COC1=CC=CC=C1

Isomeric SMILES

CS(=O)(=O)CCC(C(=O)O)NC(=O)COC1=CC=CC=C1

InChI

InChI=1S/C13H17NO6S/c1-21(18,19)8-7-11(13(16)17)14-12(15)9-20-10-5-3-2-4-6-10/h2-6,11H,7-9H2,1H3,(H,14,15)(H,16,17)