(3,3-dimethyl-2-oxidanylidene-butyl) 2-[(4-acetamidophenyl)sulfonylamino]benzoate

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) 2-[(4-acetamidophenyl)sulfonylamino]benzoate Openeye Name: (3,3-dimethyl-2-oxo-butyl) 2-[(4-acetamidophenyl)sulfonylamino]benzoate CAS Name: 2-[(4-acetamidophenyl)sulfonylamino]benzoic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) 2-[(4-acetamidophenyl)sulfonylamino]benzoate Traditional Name: 2-[(4-acetamidophenyl)sulfonylamino]benzoic acid (2-keto-3,3-dimethyl-butyl) ester Formula: C21H24N2O6S MolecularWeight: 432.49006

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC=C2C(=O)OCC(=O)C(C)(C)C

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC=C2C(=O)OCC(=O)C(C)(C)C

InChI

InChI=1S/C21H24N2O6S/c1-14(24)22-15-9-11-16(12-10-15)30(27,28)23-18-8-6-5-7-17(18)20(26)29-13-19(25)21(2,3)4/h5-12,23H,13H2,1-4H3,(H,22,24)