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

Systemtic Name: (3-propan-2-ylphenyl) 2-[(5-cyano-2-oxidanyl-phenyl)sulfonylamino]butaneperoxoate Openeye Name: (3-isopropylphenyl) 2-[(5-cyano-2-hydroxy-phenyl)sulfonylamino]butaneperoxoate CAS Name: 2-[(5-cyano-2-hydroxyphenyl)sulfonylamino]butaneperoxoic acid (3-propan-2-ylphenyl) ester IUPAC Name: (3-propan-2-ylphenyl) 2-[(5-cyano-2-hydroxyphenyl)sulfonylamino]butaneperoxoate Traditional Name: 2-[(5-cyano-2-hydroxy-phenyl)sulfonylamino]peroxybutyric acid m-cumenyl ester Formula: C20H22N2O6S MolecularWeight: 418.46348

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N2O6S/c1-4-17(20(24)28-27-16-7-5-6-15(11-16)13(2)3)22-29(25,26)19-10-14(12-21)8-9-18(19)23/h5-11,13,17,22-23H,4H2,1-3H3