2-[2-(1-adamantylsulfamoyl)phenyl]sulfanylbenzoic acid

Systemtic Name: 2-[2-(1-adamantylsulfamoyl)phenyl]sulfanylbenzoic acid Openeye Name: 2-[2-(1-adamantylsulfamoyl)phenyl]sulfanylbenzoic acid CAS Name: 2-[[2-(1-adamantylsulfamoyl)phenyl]thio]benzoic acid IUPAC Name: 2-[2-(1-adamantylsulfamoyl)phenyl]sulfanylbenzoic acid Traditional Name: 2-[[2-(1-adamantylsulfamoyl)phenyl]thio]benzoic acid Formula: C23H25NO4S2 MolecularWeight: 443.5789

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NS(=O)(=O)C4=CC=CC=C4SC5=CC=CC=C5C(=O)O

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NS(=O)(=O)C4=CC=CC=C4SC5=CC=CC=C5C(=O)O

InChI

InChI=1S/C23H25NO4S2/c25-22(26)18-5-1-2-6-19(18)29-20-7-3-4-8-21(20)30(27,28)24-23-12-15-9-16(13-23)11-17(10-15)14-23/h1-8,15-17,24H,9-14H2,(H,25,26)