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

Systemtic Name: [2-(1-adamantylamino)-2-oxidanylidene-ethyl] 3-(diethylsulfamoyl)-4-fluoranyl-benzoate Openeye Name: [2-(1-adamantylamino)-2-oxo-ethyl] 3-(diethylsulfamoyl)-4-fluoro-benzoate CAS Name: 3-(diethylsulfamoyl)-4-fluorobenzoic acid [2-(1-adamantylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylamino)-2-oxoethyl] 3-(diethylsulfamoyl)-4-fluorobenzoate Traditional Name: 3-(diethylsulfamoyl)-4-fluoro-benzoic acid [2-(1-adamantylamino)-2-keto-ethyl] ester Formula: C23H31FN2O5S MolecularWeight: 466.566043

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)NC23CC4CC(C2)CC(C4)C3)F

Isomeric SMILES

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

InChI

InChI=1S/C23H31FN2O5S/c1-3-26(4-2)32(29,30)20-10-18(5-6-19(20)24)22(28)31-14-21(27)25-23-11-15-7-16(12-23)9-17(8-15)13-23/h5-6,10,15-17H,3-4,7-9,11-14H2,1-2H3,(H,25,27)