(3,3-dimethyl-2-oxidanylidene-butyl) 3,5-bis(thiophen-2-ylsulfonylamino)benzoate

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) 3,5-bis(thiophen-2-ylsulfonylamino)benzoate Openeye Name: (3,3-dimethyl-2-oxo-butyl) 3,5-bis(2-thienylsulfonylamino)benzoate CAS Name: 3,5-bis(thiophen-2-ylsulfonylamino)benzoic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) 3,5-bis(thiophen-2-ylsulfonylamino)benzoate Traditional Name: 3,5-bis(2-thienylsulfonylamino)benzoic acid (2-keto-3,3-dimethyl-butyl) ester Formula: C21H22N2O7S4 MolecularWeight: 542.66858

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)COC(=O)C1=CC(=CC(=C1)NS(=O)(=O)C2=CC=CS2)NS(=O)(=O)C3=CC=CS3

Isomeric SMILES

CC(C)(C)C(=O)COC(=O)C1=CC(=CC(=C1)NS(=O)(=O)C2=CC=CS2)NS(=O)(=O)C3=CC=CS3

InChI

InChI=1S/C21H22N2O7S4/c1-21(2,3)17(24)13-30-20(25)14-10-15(22-33(26,27)18-6-4-8-31-18)12-16(11-14)23-34(28,29)19-7-5-9-32-19/h4-12,22-23H,13H2,1-3H3