(3,3-dimethyl-2-oxidanylidene-butyl) 3-[(4-methoxyphenyl)-methyl-sulfamoyl]benzoate

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) 3-[(4-methoxyphenyl)-methyl-sulfamoyl]benzoate Openeye Name: (3,3-dimethyl-2-oxo-butyl) 3-[(4-methoxyphenyl)-methyl-sulfamoyl]benzoate CAS Name: 3-[(4-methoxyphenyl)-methylsulfamoyl]benzoic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) 3-[(4-methoxyphenyl)-methylsulfamoyl]benzoate Traditional Name: 3-[(4-methoxyphenyl)-methyl-sulfamoyl]benzoic acid (2-keto-3,3-dimethyl-butyl) ester Formula: C21H25NO6S MolecularWeight: 419.4913

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)COC(=O)C1=CC(=CC=C1)S(=O)(=O)N(C)C2=CC=C(C=C2)OC

Isomeric SMILES

CC(C)(C)C(=O)COC(=O)C1=CC(=CC=C1)S(=O)(=O)N(C)C2=CC=C(C=C2)OC

InChI

InChI=1S/C21H25NO6S/c1-21(2,3)19(23)14-28-20(24)15-7-6-8-18(13-15)29(25,26)22(4)16-9-11-17(27-5)12-10-16/h6-13H,14H2,1-5H3