(3-propan-2-ylphenyl) 2-[(5-cyano-2-oxidanyl-phenyl)sulfonylamino]-2-methyl-butaneperoxoate

Systemtic Name: (3-propan-2-ylphenyl) 2-[(5-cyano-2-oxidanyl-phenyl)sulfonylamino]-2-methyl-butaneperoxoate Openeye Name: (3-isopropylphenyl) 2-[(5-cyano-2-hydroxy-phenyl)sulfonylamino]-2-methyl-butaneperoxoate CAS Name: 2-[(5-cyano-2-hydroxyphenyl)sulfonylamino]-2-methylbutaneperoxoic acid (3-propan-2-ylphenyl) ester IUPAC Name: (3-propan-2-ylphenyl) 2-[(5-cyano-2-hydroxyphenyl)sulfonylamino]-2-methylbutaneperoxoate Traditional Name: 2-[(5-cyano-2-hydroxy-phenyl)sulfonylamino]-2-methyl-peroxybutyric acid m-cumenyl ester Formula: C21H24N2O6S MolecularWeight: 432.49006

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C(=O)OOC1=CC=CC(=C1)C(C)C)NS(=O)(=O)C2=C(C=CC(=C2)C#N)O

Isomeric SMILES

CCC(C)(C(=O)OOC1=CC=CC(=C1)C(C)C)NS(=O)(=O)C2=C(C=CC(=C2)C#N)O

InChI

InChI=1S/C21H24N2O6S/c1-5-21(4,20(25)29-28-17-8-6-7-16(12-17)14(2)3)23-30(26,27)19-11-15(13-22)9-10-18(19)24/h6-12,14,23-24H,5H2,1-4H3