[3-(2-methylsulfonylphenyl)phenyl] 4-[(5-cyano-2-methoxy-phenyl)sulfonylamino]butaneperoxoate

Systemtic Name: [3-(2-methylsulfonylphenyl)phenyl] 4-[(5-cyano-2-methoxy-phenyl)sulfonylamino]butaneperoxoate Openeye Name: [3-(2-methylsulfonylphenyl)phenyl] 4-[(5-cyano-2-methoxy-phenyl)sulfonylamino]butaneperoxoate CAS Name: 4-[(5-cyano-2-methoxyphenyl)sulfonylamino]butaneperoxoic acid [3-(2-methylsulfonylphenyl)phenyl] ester IUPAC Name: [3-(2-methylsulfonylphenyl)phenyl] 4-[(5-cyano-2-methoxyphenyl)sulfonylamino]butaneperoxoate Traditional Name: 4-[(5-cyano-2-methoxy-phenyl)sulfonylamino]peroxybutyric acid [3-(2-mesylphenyl)phenyl] ester Formula: C25H24N2O8S2 MolecularWeight: 544.59666

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C#N)S(=O)(=O)NCCCC(=O)OOC2=CC=CC(=C2)C3=CC=CC=C3S(=O)(=O)C

Isomeric SMILES

COC1=C(C=C(C=C1)C#N)S(=O)(=O)NCCCC(=O)OOC2=CC=CC(=C2)C3=CC=CC=C3S(=O)(=O)C

InChI

InChI=1S/C25H24N2O8S2/c1-33-22-13-12-18(17-26)15-24(22)37(31,32)27-14-6-11-25(28)35-34-20-8-5-7-19(16-20)21-9-3-4-10-23(21)36(2,29)30/h3-5,7-10,12-13,15-16,27H,6,11,14H2,1-2H3