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

Systemtic Name: [2-[1-(1-adamantyl)ethylamino]-2-oxidanylidene-ethyl] 3-(diethylsulfamoyl)-4-fluoranyl-benzoate Openeye Name: [2-[1-(1-adamantyl)ethylamino]-2-oxo-ethyl] 3-(diethylsulfamoyl)-4-fluoro-benzoate CAS Name: 3-(diethylsulfamoyl)-4-fluorobenzoic acid [2-[1-(1-adamantyl)ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[1-(1-adamantyl)ethylamino]-2-oxoethyl] 3-(diethylsulfamoyl)-4-fluorobenzoate Traditional Name: 3-(diethylsulfamoyl)-4-fluoro-benzoic acid [2-[1-(1-adamantyl)ethylamino]-2-keto-ethyl] ester Formula: C25H35FN2O5S MolecularWeight: 494.619203

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H35FN2O5S/c1-4-28(5-2)34(31,32)22-11-20(6-7-21(22)26)24(30)33-15-23(29)27-16(3)25-12-17-8-18(13-25)10-19(9-17)14-25/h6-7,11,16-19H,4-5,8-10,12-15H2,1-3H3,(H,27,29)