sodium 3-(1-adamantylsulfamoyl)benzoate

Systemtic Name: sodium 3-(1-adamantylsulfamoyl)benzoate Openeye Name: sodium 3-(1-adamantylsulfamoyl)benzoate CAS Name: sodium 3-(1-adamantylsulfamoyl)benzoate IUPAC Name: sodium 3-(1-adamantylsulfamoyl)benzoate Traditional Name: sodium 3-(1-adamantylsulfamoyl)benzoate Formula: C17H20NNaO4S MolecularWeight: 357.39977

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NS(=O)(=O)C4=CC=CC(=C4)C(=O)[O-].[Na+]

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NS(=O)(=O)C4=CC=CC(=C4)C(=O)[O-].[Na+]

InChI

InChI=1S/C17H21NO4S.Na/c19-16(20)14-2-1-3-15(7-14)23(21,22)18-17-8-11-4-12(9-17)6-13(5-11)10-17;/h1-3,7,11-13,18H,4-6,8-10H2,(H,19,20);/q;+1/p-1