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

Systemtic Name: 4-chloranyl-3-[2-(3,5-ditert-butyl-4-oxidanyl-phenyl)ethanethioylsulfamoyl]benzoic acid Openeye Name: 4-chloro-3-[[2-(3,5-ditert-butyl-4-hydroxy-phenyl)ethanethioyl]sulfamoyl]benzoic acid CAS Name: 4-chloro-3-[[2-(3,5-ditert-butyl-4-hydroxyphenyl)-1-sulfanylideneethyl]sulfamoyl]benzoic acid IUPAC Name: 4-chloro-3-[[2-(3,5-ditert-butyl-4-hydroxyphenyl)ethanethioyl]sulfamoyl]benzoic acid Traditional Name: 4-chloro-3-[[2-(3,5-ditert-butyl-4-hydroxy-phenyl)thioacetyl]sulfamoyl]benzoic acid Formula: C23H28ClNO5S2 MolecularWeight: 498.05512

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C23H28ClNO5S2/c1-22(2,3)15-9-13(10-16(20(15)26)23(4,5)6)11-19(31)25-32(29,30)18-12-14(21(27)28)7-8-17(18)24/h7-10,12,26H,11H2,1-6H3,(H,25,31)(H,27,28)