4-[2-(3,5-ditert-butyl-4-oxidanyl-phenyl)sulfanylethanoylsulfamoyl]benzoic acid

Systemtic Name: 4-[2-(3,5-ditert-butyl-4-oxidanyl-phenyl)sulfanylethanoylsulfamoyl]benzoic acid Openeye Name: 4-[[2-(3,5-ditert-butyl-4-hydroxy-phenyl)sulfanylacetyl]sulfamoyl]benzoic acid CAS Name: 4-[[2-[(3,5-ditert-butyl-4-hydroxyphenyl)thio]-1-oxoethyl]sulfamoyl]benzoic acid IUPAC Name: 4-[[2-(3,5-ditert-butyl-4-hydroxyphenyl)sulfanylacetyl]sulfamoyl]benzoic acid Traditional Name: 4-[[2-[(3,5-ditert-butyl-4-hydroxy-phenyl)thio]acetyl]sulfamoyl]benzoic acid Formula: C23H29NO6S2 MolecularWeight: 479.60946

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)SCC(=O)NS(=O)(=O)C2=CC=C(C=C2)C(=O)O

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)SCC(=O)NS(=O)(=O)C2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C23H29NO6S2/c1-22(2,3)17-11-15(12-18(20(17)26)23(4,5)6)31-13-19(25)24-32(29,30)16-9-7-14(8-10-16)21(27)28/h7-12,26H,13H2,1-6H3,(H,24,25)(H,27,28)