5-[[4-(2,2-dimethylpropanoyloxy)-3-methyl-phenyl]sulfonylamino]-2,3-dihydro-1,4-benzodioxine-3-carboxylic acid

Systemtic Name: 5-[[4-(2,2-dimethylpropanoyloxy)-3-methyl-phenyl]sulfonylamino]-2,3-dihydro-1,4-benzodioxine-3-carboxylic acid Openeye Name: 5-[[4-(2,2-dimethylpropanoyloxy)-3-methyl-phenyl]sulfonylamino]-2,3-dihydro-1,4-benzodioxine-3-carboxylic acid CAS Name: 5-[[4-(2,2-dimethyl-1-oxopropoxy)-3-methylphenyl]sulfonylamino]-2,3-dihydro-1,4-benzodioxin-3-carboxylic acid IUPAC Name: 5-[[4-(2,2-dimethylpropanoyloxy)-3-methylphenyl]sulfonylamino]-2,3-dihydro-1,4-benzodioxine-3-carboxylic acid Traditional Name: 5-[(3-methyl-4-pivaloyloxy-phenyl)sulfonylamino]-2,3-dihydro-1,4-benzodioxin-3-carboxylic acid Formula: C21H23NO8S MolecularWeight: 449.47422

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)S(=O)(=O)NC2=C3C(=CC=C2)OCC(O3)C(=O)O)OC(=O)C(C)(C)C

Isomeric SMILES

CC1=C(C=CC(=C1)S(=O)(=O)NC2=C3C(=CC=C2)OCC(O3)C(=O)O)OC(=O)C(C)(C)C

InChI

InChI=1S/C21H23NO8S/c1-12-10-13(8-9-15(12)30-20(25)21(2,3)4)31(26,27)22-14-6-5-7-16-18(14)29-17(11-28-16)19(23)24/h5-10,17,22H,11H2,1-4H3,(H,23,24)