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

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) 4-methyl-3-[(4-methylphenyl)sulfamoyl]benzoate Openeye Name: (3,3-dimethyl-2-oxo-butyl) 4-methyl-3-(p-tolylsulfamoyl)benzoate CAS Name: 4-methyl-3-[(4-methylphenyl)sulfamoyl]benzoic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) 4-methyl-3-[(4-methylphenyl)sulfamoyl]benzoate Traditional Name: 4-methyl-3-(p-tolylsulfamoyl)benzoic acid (2-keto-3,3-dimethyl-butyl) ester Formula: C21H25NO5S MolecularWeight: 403.4919

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NS(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC(=O)C(C)(C)C)C

Isomeric SMILES

CC1=CC=C(C=C1)NS(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC(=O)C(C)(C)C)C

InChI

InChI=1S/C21H25NO5S/c1-14-6-10-17(11-7-14)22-28(25,26)18-12-16(9-8-15(18)2)20(24)27-13-19(23)21(3,4)5/h6-12,22H,13H2,1-5H3