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

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) 3-[methyl-(4-methylphenyl)sulfamoyl]benzoate Openeye Name: (3,3-dimethyl-2-oxo-butyl) 3-[methyl(p-tolyl)sulfamoyl]benzoate CAS Name: 3-[methyl-(4-methylphenyl)sulfamoyl]benzoic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) 3-[methyl-(4-methylphenyl)sulfamoyl]benzoate Traditional Name: 3-[methyl(p-tolyl)sulfamoyl]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)N(C)S(=O)(=O)C2=CC=CC(=C2)C(=O)OCC(=O)C(C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)N(C)S(=O)(=O)C2=CC=CC(=C2)C(=O)OCC(=O)C(C)(C)C

InChI

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