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

Systemtic Name: (3-propan-2-ylphenyl) 2-[(5-cyano-2-methoxy-phenyl)sulfonylamino]-2-methyl-butaneperoxoate Openeye Name: (3-isopropylphenyl) 2-[(5-cyano-2-methoxy-phenyl)sulfonylamino]-2-methyl-butaneperoxoate CAS Name: 2-[(5-cyano-2-methoxyphenyl)sulfonylamino]-2-methylbutaneperoxoic acid (3-propan-2-ylphenyl) ester IUPAC Name: (3-propan-2-ylphenyl) 2-[(5-cyano-2-methoxyphenyl)sulfonylamino]-2-methylbutaneperoxoate Traditional Name: 2-[(5-cyano-2-methoxy-phenyl)sulfonylamino]-2-methyl-peroxybutyric acid m-cumenyl ester Formula: C22H26N2O6S MolecularWeight: 446.51664

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C22H26N2O6S/c1-6-22(4,21(25)30-29-18-9-7-8-17(13-18)15(2)3)24-31(26,27)20-12-16(14-23)10-11-19(20)28-5/h7-13,15,24H,6H2,1-5H3