(3-propan-2-ylphenyl) 2-(5-cyano-2-oxidanyl-phenyl)sulfonyl-2-[(2-methyl-1,3-thiazol-4-yl)methylamino]butaneperoxoate

Systemtic Name: (3-propan-2-ylphenyl) 2-(5-cyano-2-oxidanyl-phenyl)sulfonyl-2-[(2-methyl-1,3-thiazol-4-yl)methylamino]butaneperoxoate Openeye Name: (3-isopropylphenyl) 2-(5-cyano-2-hydroxy-phenyl)sulfonyl-2-[(2-methylthiazol-4-yl)methylamino]butaneperoxoate CAS Name: 2-(5-cyano-2-hydroxyphenyl)sulfonyl-2-[(2-methyl-4-thiazolyl)methylamino]butaneperoxoic acid (3-propan-2-ylphenyl) ester IUPAC Name: (3-propan-2-ylphenyl) 2-(5-cyano-2-hydroxyphenyl)sulfonyl-2-[(2-methyl-1,3-thiazol-4-yl)methylamino]butaneperoxoate Traditional Name: 2-(5-cyano-2-hydroxy-phenyl)sulfonyl-2-[(2-methylthiazol-4-yl)methylamino]peroxybutyric acid m-cumenyl ester Formula: C25H27N3O6S2 MolecularWeight: 529.62838

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)OOC1=CC=CC(=C1)C(C)C)(NCC2=CSC(=N2)C)S(=O)(=O)C3=C(C=CC(=C3)C#N)O

Isomeric SMILES

CCC(C(=O)OOC1=CC=CC(=C1)C(C)C)(NCC2=CSC(=N2)C)S(=O)(=O)C3=C(C=CC(=C3)C#N)O

InChI

InChI=1S/C25H27N3O6S2/c1-5-25(27-14-20-15-35-17(4)28-20,36(31,32)23-11-18(13-26)9-10-22(23)29)24(30)34-33-21-8-6-7-19(12-21)16(2)3/h6-12,15-16,27,29H,5,14H2,1-4H3