ethyl 4-chloranyl-3-[2-(3,5-ditert-butyl-4-oxidanyl-phenyl)ethanethioylsulfamoyl]benzoate

Systemtic Name: ethyl 4-chloranyl-3-[2-(3,5-ditert-butyl-4-oxidanyl-phenyl)ethanethioylsulfamoyl]benzoate Openeye Name: ethyl 4-chloro-3-[[2-(3,5-ditert-butyl-4-hydroxy-phenyl)ethanethioyl]sulfamoyl]benzoate CAS Name: 4-chloro-3-[[2-(3,5-ditert-butyl-4-hydroxyphenyl)-1-sulfanylideneethyl]sulfamoyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-chloro-3-[[2-(3,5-ditert-butyl-4-hydroxyphenyl)ethanethioyl]sulfamoyl]benzoate Traditional Name: 4-chloro-3-[[2-(3,5-ditert-butyl-4-hydroxy-phenyl)thioacetyl]sulfamoyl]benzoic acid ethyl ester Formula: C25H32ClNO5S2 MolecularWeight: 526.10828

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(C=C1)Cl)S(=O)(=O)NC(=S)CC2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C

Isomeric SMILES

CCOC(=O)C1=CC(=C(C=C1)Cl)S(=O)(=O)NC(=S)CC2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C

InChI

InChI=1S/C25H32ClNO5S2/c1-8-32-23(29)16-9-10-19(26)20(14-16)34(30,31)27-21(33)13-15-11-17(24(2,3)4)22(28)18(12-15)25(5,6)7/h9-12,14,28H,8,13H2,1-7H3,(H,27,33)