[(4-iodophenyl)sulfonylamino]methyl 5-phenylpent-4-yneperoxoate

Systemtic Name: [(4-iodophenyl)sulfonylamino]methyl 5-phenylpent-4-yneperoxoate Openeye Name: [(4-iodophenyl)sulfonylamino]methyl 5-phenylpent-4-yneperoxoate CAS Name: 5-phenyl-4-pentyneperoxoic acid [(4-iodophenyl)sulfonylamino]methyl ester IUPAC Name: [(4-iodophenyl)sulfonylamino]methyl 5-phenylpent-4-yneperoxoate Traditional Name: 5-phenylpent-4-yneperoxoic acid [(4-iodophenyl)sulfonylamino]methyl ester Formula: C18H16INO5S MolecularWeight: 485.29281

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C#CCCC(=O)OOCNS(=O)(=O)C2=CC=C(C=C2)I

Isomeric SMILES

C1=CC=C(C=C1)C#CCCC(=O)OOCNS(=O)(=O)C2=CC=C(C=C2)I

InChI

InChI=1S/C18H16INO5S/c19-16-10-12-17(13-11-16)26(22,23)20-14-24-25-18(21)9-5-4-8-15-6-2-1-3-7-15/h1-3,6-7,10-13,20H,5,9,14H2