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

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) 4-[[(2-methoxyphenyl)sulfonylamino]methyl]benzoate Openeye Name: (3,3-dimethyl-2-oxo-butyl) 4-[[(2-methoxyphenyl)sulfonylamino]methyl]benzoate CAS Name: 4-[[(2-methoxyphenyl)sulfonylamino]methyl]benzoic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) 4-[[(2-methoxyphenyl)sulfonylamino]methyl]benzoate Traditional Name: 4-[[(2-methoxyphenyl)sulfonylamino]methyl]benzoic acid (2-keto-3,3-dimethyl-butyl) ester Formula: C21H25NO6S MolecularWeight: 419.4913

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)COC(=O)C1=CC=C(C=C1)CNS(=O)(=O)C2=CC=CC=C2OC

Isomeric SMILES

CC(C)(C)C(=O)COC(=O)C1=CC=C(C=C1)CNS(=O)(=O)C2=CC=CC=C2OC

InChI

InChI=1S/C21H25NO6S/c1-21(2,3)19(23)14-28-20(24)16-11-9-15(10-12-16)13-22-29(25,26)18-8-6-5-7-17(18)27-4/h5-12,22H,13-14H2,1-4H3