(3,3-dimethyl-2-oxidanylidene-butyl) 2-[(3,4-dimethoxyphenyl)sulfonylamino]benzoate

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) 2-[(3,4-dimethoxyphenyl)sulfonylamino]benzoate Openeye Name: (3,3-dimethyl-2-oxo-butyl) 2-[(3,4-dimethoxyphenyl)sulfonylamino]benzoate CAS Name: 2-[(3,4-dimethoxyphenyl)sulfonylamino]benzoic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) 2-[(3,4-dimethoxyphenyl)sulfonylamino]benzoate Traditional Name: 2-[(3,4-dimethoxyphenyl)sulfonylamino]benzoic acid (2-keto-3,3-dimethyl-butyl) ester Formula: C21H25NO7S MolecularWeight: 435.4907

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)COC(=O)C1=CC=CC=C1NS(=O)(=O)C2=CC(=C(C=C2)OC)OC

Isomeric SMILES

CC(C)(C)C(=O)COC(=O)C1=CC=CC=C1NS(=O)(=O)C2=CC(=C(C=C2)OC)OC

InChI

InChI=1S/C21H25NO7S/c1-21(2,3)19(23)13-29-20(24)15-8-6-7-9-16(15)22-30(25,26)14-10-11-17(27-4)18(12-14)28-5/h6-12,22H,13H2,1-5H3