[2-(1-adamantyl)-2-oxidanylidene-ethyl] 3-(diethylsulfamoyl)-4-fluoranyl-benzoate

Systemtic Name: [2-(1-adamantyl)-2-oxidanylidene-ethyl] 3-(diethylsulfamoyl)-4-fluoranyl-benzoate Openeye Name: [2-(1-adamantyl)-2-oxo-ethyl] 3-(diethylsulfamoyl)-4-fluoro-benzoate CAS Name: 3-(diethylsulfamoyl)-4-fluorobenzoic acid [2-(1-adamantyl)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantyl)-2-oxoethyl] 3-(diethylsulfamoyl)-4-fluorobenzoate Traditional Name: 3-(diethylsulfamoyl)-4-fluoro-benzoic acid [2-(1-adamantyl)-2-keto-ethyl] ester Formula: C23H30FNO5S MolecularWeight: 451.551403

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=C(C=CC(=C1)C(=O)OCC(=O)C23CC4CC(C2)CC(C4)C3)F

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=C(C=CC(=C1)C(=O)OCC(=O)C23CC4CC(C2)CC(C4)C3)F

InChI

InChI=1S/C23H30FNO5S/c1-3-25(4-2)31(28,29)20-10-18(5-6-19(20)24)22(27)30-14-21(26)23-11-15-7-16(12-23)9-17(8-15)13-23/h5-6,10,15-17H,3-4,7-9,11-14H2,1-2H3