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

Systemtic Name: 4-chloranyl-3-[2-(3,5-ditert-butyl-4-oxidanyl-phenyl)sulfanylethanoylsulfamoyl]benzoic acid Openeye Name: 4-chloro-3-[[2-(3,5-ditert-butyl-4-hydroxy-phenyl)sulfanylacetyl]sulfamoyl]benzoic acid CAS Name: 4-chloro-3-[[2-[(3,5-ditert-butyl-4-hydroxyphenyl)thio]-1-oxoethyl]sulfamoyl]benzoic acid IUPAC Name: 4-chloro-3-[[2-(3,5-ditert-butyl-4-hydroxyphenyl)sulfanylacetyl]sulfamoyl]benzoic acid Traditional Name: 4-chloro-3-[[2-[(3,5-ditert-butyl-4-hydroxy-phenyl)thio]acetyl]sulfamoyl]benzoic acid Formula: C23H28ClNO6S2 MolecularWeight: 514.05452

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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=C(C=CC(=C2)C(=O)O)Cl

Isomeric SMILES

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

InChI

InChI=1S/C23H28ClNO6S2/c1-22(2,3)15-10-14(11-16(20(15)27)23(4,5)6)32-12-19(26)25-33(30,31)18-9-13(21(28)29)7-8-17(18)24/h7-11,27H,12H2,1-6H3,(H,25,26)(H,28,29)