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

Systemtic Name: 5-[(1-adamantylcarbonylamino)sulfamoyl]-2-bromanyl-benzoic acid Openeye Name: 5-[(adamantane-1-carbonylamino)sulfamoyl]-2-bromo-benzoic acid CAS Name: 5-[[[1-adamantyl(oxo)methyl]amino]sulfamoyl]-2-bromobenzoic acid IUPAC Name: 5-[(adamantane-1-carbonylamino)sulfamoyl]-2-bromobenzoic acid Traditional Name: 5-[(adamantane-1-carbonylamino)sulfamoyl]-2-bromo-benzoic acid Formula: C18H21BrN2O5S MolecularWeight: 457.33874

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21BrN2O5S/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)