5-[(1-adamantylcarbonylamino)sulfamoyl]-2-fluoranyl-benzoic acid

Systemtic Name: 5-[(1-adamantylcarbonylamino)sulfamoyl]-2-fluoranyl-benzoic acid Openeye Name: 5-[(adamantane-1-carbonylamino)sulfamoyl]-2-fluoro-benzoic acid CAS Name: 5-[[[1-adamantyl(oxo)methyl]amino]sulfamoyl]-2-fluorobenzoic acid IUPAC Name: 5-[(adamantane-1-carbonylamino)sulfamoyl]-2-fluorobenzoic acid Traditional Name: 5-[(adamantane-1-carbonylamino)sulfamoyl]-2-fluoro-benzoic acid Formula: C18H21FN2O5S MolecularWeight: 396.433143

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)NNS(=O)(=O)C4=CC(=C(C=C4)F)C(=O)O

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)NNS(=O)(=O)C4=CC(=C(C=C4)F)C(=O)O

InChI

InChI=1S/C18H21FN2O5S/c19-15-2-1-13(6-14(15)16(22)23)27(25,26)21-20-17(24)18-7-10-3-11(8-18)5-12(4-10)9-18/h1-2,6,10-12,21H,3-5,7-9H2,(H,20,24)(H,22,23)