[[2-(4-methanethioyloxyphenyl)phenyl]sulfonylamino]methyl 5-phenylpent-4-yneperoxoate

Systemtic Name: [[2-(4-methanethioyloxyphenyl)phenyl]sulfonylamino]methyl 5-phenylpent-4-yneperoxoate Openeye Name: [[2-(4-methanethioyloxyphenyl)phenyl]sulfonylamino]methyl 5-phenylpent-4-yneperoxoate CAS Name: 5-phenyl-4-pentyneperoxoic acid [[2-(4-methanethioyloxyphenyl)phenyl]sulfonylamino]methyl ester IUPAC Name: [[2-(4-methanethioyloxyphenyl)phenyl]sulfonylamino]methyl 5-phenylpent-4-yneperoxoate Traditional Name: 5-phenylpent-4-yneperoxoic acid [[2-(4-thioformyloxyphenyl)phenyl]sulfonylamino]methyl ester Formula: C25H21NO6S2 MolecularWeight: 495.56734

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C#CCCC(=O)OOCNS(=O)(=O)C2=CC=CC=C2C3=CC=C(C=C3)OC=S

Isomeric SMILES

C1=CC=C(C=C1)C#CCCC(=O)OOCNS(=O)(=O)C2=CC=CC=C2C3=CC=C(C=C3)OC=S

InChI

InChI=1S/C25H21NO6S2/c27-25(13-7-4-10-20-8-2-1-3-9-20)32-31-18-26-34(28,29)24-12-6-5-11-23(24)21-14-16-22(17-15-21)30-19-33/h1-3,5-6,8-9,11-12,14-17,19,26H,7,13,18H2