dimethyl 2-[(1-adamantylcarbonylamino)sulfamoyl]benzene-1,4-dicarboxylate

Systemtic Name: dimethyl 2-[(1-adamantylcarbonylamino)sulfamoyl]benzene-1,4-dicarboxylate Openeye Name: dimethyl 2-[(adamantane-1-carbonylamino)sulfamoyl]benzene-1,4-dicarboxylate CAS Name: 2-[[[1-adamantyl(oxo)methyl]amino]sulfamoyl]benzene-1,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2-[(adamantane-1-carbonylamino)sulfamoyl]benzene-1,4-dicarboxylate Traditional Name: 2-[(adamantane-1-carbonylamino)sulfamoyl]benzene-1,4-dicarboxylic acid dimethyl ester Formula: C21H26N2O7S MolecularWeight: 450.50534

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O7S/c1-29-18(24)15-3-4-16(19(25)30-2)17(8-15)31(27,28)23-22-20(26)21-9-12-5-13(10-21)7-14(6-12)11-21/h3-4,8,12-14,23H,5-7,9-11H2,1-2H3,(H,22,26)