(3,3-dimethyl-2-oxidanylidene-butyl) 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)butanoate

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)butanoate Openeye Name: (3,3-dimethyl-2-oxo-butyl) 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)butanoate CAS Name: 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)butanoic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)butanoate Traditional Name: 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)butyric acid (2-keto-3,3-dimethyl-butyl) ester Formula: C18H25NO7S MolecularWeight: 399.4586

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)COC(=O)CCCNS(=O)(=O)C1=CC2=C(C=C1)OCCO2

Isomeric SMILES

CC(C)(C)C(=O)COC(=O)CCCNS(=O)(=O)C1=CC2=C(C=C1)OCCO2

InChI

InChI=1S/C18H25NO7S/c1-18(2,3)16(20)12-26-17(21)5-4-8-19-27(22,23)13-6-7-14-15(11-13)25-10-9-24-14/h6-7,11,19H,4-5,8-10,12H2,1-3H3