3-[[4-(2,2-dimethylpropanoyloxy)-3-methyl-phenyl]sulfonylamino]propanoic acid

Systemtic Name: 3-[[4-(2,2-dimethylpropanoyloxy)-3-methyl-phenyl]sulfonylamino]propanoic acid Openeye Name: 3-[[4-(2,2-dimethylpropanoyloxy)-3-methyl-phenyl]sulfonylamino]propanoic acid CAS Name: 3-[[4-(2,2-dimethyl-1-oxopropoxy)-3-methylphenyl]sulfonylamino]propanoic acid IUPAC Name: 3-[[4-(2,2-dimethylpropanoyloxy)-3-methylphenyl]sulfonylamino]propanoic acid Traditional Name: 3-[(3-methyl-4-pivaloyloxy-phenyl)sulfonylamino]propionic acid Formula: C15H21NO6S MolecularWeight: 343.39534

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)S(=O)(=O)NCCC(=O)O)OC(=O)C(C)(C)C

Isomeric SMILES

CC1=C(C=CC(=C1)S(=O)(=O)NCCC(=O)O)OC(=O)C(C)(C)C

InChI

InChI=1S/C15H21NO6S/c1-10-9-11(23(20,21)16-8-7-13(17)18)5-6-12(10)22-14(19)15(2,3)4/h5-6,9,16H,7-8H2,1-4H3,(H,17,18)