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

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) 3-[ethyl(phenyl)sulfamoyl]-4-methyl-benzoate Openeye Name: (3,3-dimethyl-2-oxo-butyl) 3-[ethyl(phenyl)sulfamoyl]-4-methyl-benzoate CAS Name: 3-[ethyl(phenyl)sulfamoyl]-4-methylbenzoic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) 3-[ethyl(phenyl)sulfamoyl]-4-methylbenzoate Traditional Name: 3-[ethyl(phenyl)sulfamoyl]-4-methyl-benzoic acid (2-keto-3,3-dimethyl-butyl) ester Formula: C22H27NO5S MolecularWeight: 417.51848

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CC=CC=C1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC(=O)C(C)(C)C)C

Isomeric SMILES

CCN(C1=CC=CC=C1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC(=O)C(C)(C)C)C

InChI

InChI=1S/C22H27NO5S/c1-6-23(18-10-8-7-9-11-18)29(26,27)19-14-17(13-12-16(19)2)21(25)28-15-20(24)22(3,4)5/h7-14H,6,15H2,1-5H3