3-[[2-(1-adamantyl)ethanoylamino]sulfamoyl]-4,5-dimethyl-benzoic acid

Systemtic Name: 3-[[2-(1-adamantyl)ethanoylamino]sulfamoyl]-4,5-dimethyl-benzoic acid Openeye Name: 3-[[[2-(1-adamantyl)acetyl]amino]sulfamoyl]-4,5-dimethyl-benzoic acid CAS Name: 3-[[[2-(1-adamantyl)-1-oxoethyl]amino]sulfamoyl]-4,5-dimethylbenzoic acid IUPAC Name: 3-[[[2-(1-adamantyl)acetyl]amino]sulfamoyl]-4,5-dimethylbenzoic acid Traditional Name: 3-[[[2-(1-adamantyl)acetyl]amino]sulfamoyl]-4,5-dimethyl-benzoic acid Formula: C21H28N2O5S MolecularWeight: 420.52242

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1)C(=O)O)S(=O)(=O)NNC(=O)CC23CC4CC(C2)CC(C4)C3)C

Isomeric SMILES

CC1=C(C(=CC(=C1)C(=O)O)S(=O)(=O)NNC(=O)CC23CC4CC(C2)CC(C4)C3)C

InChI

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