4-[[4-(methylsulfonylmethoxy)phenyl]carbonylamino]adamantane-1-carboxylic acid

Systemtic Name: 4-[[4-(methylsulfonylmethoxy)phenyl]carbonylamino]adamantane-1-carboxylic acid Openeye Name: 4-[[4-(methylsulfonylmethoxy)benzoyl]amino]adamantane-1-carboxylic acid CAS Name: 4-[[[4-(methylsulfonylmethoxy)phenyl]-oxomethyl]amino]-1-adamantanecarboxylic acid IUPAC Name: 4-[[4-(methylsulfonylmethoxy)benzoyl]amino]adamantane-1-carboxylic acid Traditional Name: 4-[[4-(mesylmethoxy)benzoyl]amino]adamantane-1-carboxylic acid Formula: C20H25NO6S MolecularWeight: 407.4806

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)COC1=CC=C(C=C1)C(=O)NC2C3CC4CC2CC(C4)(C3)C(=O)O

Isomeric SMILES

CS(=O)(=O)COC1=CC=C(C=C1)C(=O)NC2C3CC4CC2CC(C4)(C3)C(=O)O

InChI

InChI=1S/C20H25NO6S/c1-28(25,26)11-27-16-4-2-13(3-5-16)18(22)21-17-14-6-12-7-15(17)10-20(8-12,9-14)19(23)24/h2-5,12,14-15,17H,6-11H2,1H3,(H,21,22)(H,23,24)