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

Systemtic Name: ethyl 4-[2-(3,5-ditert-butyl-4-oxidanyl-phenyl)sulfanylethanoylsulfamoyl]benzoate Openeye Name: ethyl 4-[[2-(3,5-ditert-butyl-4-hydroxy-phenyl)sulfanylacetyl]sulfamoyl]benzoate CAS Name: 4-[[2-[(3,5-ditert-butyl-4-hydroxyphenyl)thio]-1-oxoethyl]sulfamoyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-(3,5-ditert-butyl-4-hydroxyphenyl)sulfanylacetyl]sulfamoyl]benzoate Traditional Name: 4-[[2-[(3,5-ditert-butyl-4-hydroxy-phenyl)thio]acetyl]sulfamoyl]benzoic acid ethyl ester Formula: C25H33NO6S2 MolecularWeight: 507.66262

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)NC(=O)CSC2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)NC(=O)CSC2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C

InChI

InChI=1S/C25H33NO6S2/c1-8-32-23(29)16-9-11-18(12-10-16)34(30,31)26-21(27)15-33-17-13-19(24(2,3)4)22(28)20(14-17)25(5,6)7/h9-14,28H,8,15H2,1-7H3,(H,26,27)