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

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) 4-methyl-3-[(phenylmethyl)sulfamoyl]benzoate Openeye Name: (3,3-dimethyl-2-oxo-butyl) 3-(benzylsulfamoyl)-4-methyl-benzoate CAS Name: 4-methyl-3-[(phenylmethyl)sulfamoyl]benzoic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) 3-(benzylsulfamoyl)-4-methylbenzoate Traditional Name: 3-(benzylsulfamoyl)-4-methyl-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=C(C=C(C=C1)C(=O)OCC(=O)C(C)(C)C)S(=O)(=O)NCC2=CC=CC=C2

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OCC(=O)C(C)(C)C)S(=O)(=O)NCC2=CC=CC=C2

InChI

InChI=1S/C21H25NO5S/c1-15-10-11-17(20(24)27-14-19(23)21(2,3)4)12-18(15)28(25,26)22-13-16-8-6-5-7-9-16/h5-12,22H,13-14H2,1-4H3