(3,3-dimethyl-2-oxidanylidene-butyl) 2-[2-oxidanylidene-2-[(3-sulfamoylphenyl)amino]ethyl]sulfanylbenzoate

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) 2-[2-oxidanylidene-2-[(3-sulfamoylphenyl)amino]ethyl]sulfanylbenzoate Openeye Name: (3,3-dimethyl-2-oxo-butyl) 2-[2-oxo-2-(3-sulfamoylanilino)ethyl]sulfanylbenzoate CAS Name: 2-[[2-oxo-2-(3-sulfamoylanilino)ethyl]thio]benzoic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) 2-[2-oxo-2-(3-sulfamoylanilino)ethyl]sulfanylbenzoate Traditional Name: 2-[[2-keto-2-(3-sulfamoylanilino)ethyl]thio]benzoic acid (2-keto-3,3-dimethyl-butyl) ester Formula: C21H24N2O6S2 MolecularWeight: 464.55506

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)COC(=O)C1=CC=CC=C1SCC(=O)NC2=CC(=CC=C2)S(=O)(=O)N

Isomeric SMILES

CC(C)(C)C(=O)COC(=O)C1=CC=CC=C1SCC(=O)NC2=CC(=CC=C2)S(=O)(=O)N

InChI

InChI=1S/C21H24N2O6S2/c1-21(2,3)18(24)12-29-20(26)16-9-4-5-10-17(16)30-13-19(25)23-14-7-6-8-15(11-14)31(22,27)28/h4-11H,12-13H2,1-3H3,(H,23,25)(H2,22,27,28)