methyl 2-[(1-adamantylcarbonylamino)sulfamoyl]-5-bromanyl-benzoate

Systemtic Name: methyl 2-[(1-adamantylcarbonylamino)sulfamoyl]-5-bromanyl-benzoate Openeye Name: methyl 2-[(adamantane-1-carbonylamino)sulfamoyl]-5-bromo-benzoate CAS Name: 2-[[[1-adamantyl(oxo)methyl]amino]sulfamoyl]-5-bromobenzoic acid methyl ester IUPAC Name: methyl 2-[(adamantane-1-carbonylamino)sulfamoyl]-5-bromobenzoate Traditional Name: 2-[(adamantane-1-carbonylamino)sulfamoyl]-5-bromo-benzoic acid methyl ester Formula: C19H23BrN2O5S MolecularWeight: 471.36532

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CC(=C1)Br)S(=O)(=O)NNC(=O)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

COC(=O)C1=C(C=CC(=C1)Br)S(=O)(=O)NNC(=O)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C19H23BrN2O5S/c1-27-17(23)15-7-14(20)2-3-16(15)28(25,26)22-21-18(24)19-8-11-4-12(9-19)6-13(5-11)10-19/h2-3,7,11-13,22H,4-6,8-10H2,1H3,(H,21,24)