[2-(1-adamantylamino)-2-oxidanylidene-ethyl] 2-fluoranyl-5-(methylsulfamoyl)benzoate

Systemtic Name: [2-(1-adamantylamino)-2-oxidanylidene-ethyl] 2-fluoranyl-5-(methylsulfamoyl)benzoate Openeye Name: [2-(1-adamantylamino)-2-oxo-ethyl] 2-fluoro-5-(methylsulfamoyl)benzoate CAS Name: 2-fluoro-5-(methylsulfamoyl)benzoic acid [2-(1-adamantylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylamino)-2-oxoethyl] 2-fluoro-5-(methylsulfamoyl)benzoate Traditional Name: 2-fluoro-5-(methylsulfamoyl)benzoic acid [2-(1-adamantylamino)-2-keto-ethyl] ester Formula: C20H25FN2O5S MolecularWeight: 424.486303

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Descriptors Computed from Structure

Canonical SMILES:

CNS(=O)(=O)C1=CC(=C(C=C1)F)C(=O)OCC(=O)NC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CNS(=O)(=O)C1=CC(=C(C=C1)F)C(=O)OCC(=O)NC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C20H25FN2O5S/c1-22-29(26,27)15-2-3-17(21)16(7-15)19(25)28-11-18(24)23-20-8-12-4-13(9-20)6-14(5-12)10-20/h2-3,7,12-14,22H,4-6,8-11H2,1H3,(H,23,24)