ethyl 4-[[2-(1-adamantyl)ethanoylamino]sulfamoyl]benzoate

Systemtic Name: ethyl 4-[[2-(1-adamantyl)ethanoylamino]sulfamoyl]benzoate Openeye Name: ethyl 4-[[[2-(1-adamantyl)acetyl]amino]sulfamoyl]benzoate CAS Name: 4-[[[2-(1-adamantyl)-1-oxoethyl]amino]sulfamoyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[[2-(1-adamantyl)acetyl]amino]sulfamoyl]benzoate Traditional Name: 4-[[[2-(1-adamantyl)acetyl]amino]sulfamoyl]benzoic acid ethyl ester Formula: C21H28N2O5S MolecularWeight: 420.52242

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)NNC(=O)CC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)NNC(=O)CC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C21H28N2O5S/c1-2-28-20(25)17-3-5-18(6-4-17)29(26,27)23-22-19(24)13-21-10-14-7-15(11-21)9-16(8-14)12-21/h3-6,14-16,23H,2,7-13H2,1H3,(H,22,24)