(3,3-dimethyl-2-oxidanylidene-butyl) 2-methyl-5-[(3-methylphenyl)sulfamoyl]benzoate

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) 2-methyl-5-[(3-methylphenyl)sulfamoyl]benzoate Openeye Name: (3,3-dimethyl-2-oxo-butyl) 2-methyl-5-(m-tolylsulfamoyl)benzoate CAS Name: 2-methyl-5-[(3-methylphenyl)sulfamoyl]benzoic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) 2-methyl-5-[(3-methylphenyl)sulfamoyl]benzoate Traditional Name: 2-methyl-5-(m-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(=CC=C1)NS(=O)(=O)C2=CC(=C(C=C2)C)C(=O)OCC(=O)C(C)(C)C

Isomeric SMILES

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

InChI

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