methyl 2-[[2-(1-adamantyl)ethanoylamino]sulfamoyl]benzoate

Systemtic Name: methyl 2-[[2-(1-adamantyl)ethanoylamino]sulfamoyl]benzoate Openeye Name: methyl 2-[[[2-(1-adamantyl)acetyl]amino]sulfamoyl]benzoate CAS Name: 2-[[[2-(1-adamantyl)-1-oxoethyl]amino]sulfamoyl]benzoic acid methyl ester IUPAC Name: methyl 2-[[[2-(1-adamantyl)acetyl]amino]sulfamoyl]benzoate Traditional Name: 2-[[[2-(1-adamantyl)acetyl]amino]sulfamoyl]benzoic acid methyl ester Formula: C20H26N2O5S MolecularWeight: 406.49584

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1S(=O)(=O)NNC(=O)CC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

COC(=O)C1=CC=CC=C1S(=O)(=O)NNC(=O)CC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C20H26N2O5S/c1-27-19(24)16-4-2-3-5-17(16)28(25,26)22-21-18(23)12-20-9-13-6-14(10-20)8-15(7-13)11-20/h2-5,13-15,22H,6-12H2,1H3,(H,21,23)