[2-(2-adamantylamino)-2-oxidanylidene-ethyl] 1-(2-fluorophenyl)sulfonylpyrrolidine-2-carboxylate

Systemtic Name: [2-(2-adamantylamino)-2-oxidanylidene-ethyl] 1-(2-fluorophenyl)sulfonylpyrrolidine-2-carboxylate Openeye Name: [2-(2-adamantylamino)-2-oxo-ethyl] 1-(2-fluorophenyl)sulfonylpyrrolidine-2-carboxylate CAS Name: 1-(2-fluorophenyl)sulfonyl-2-pyrrolidinecarboxylic acid [2-(2-adamantylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-adamantylamino)-2-oxoethyl] 1-(2-fluorophenyl)sulfonylpyrrolidine-2-carboxylate Traditional Name: 1-(2-fluorophenyl)sulfonylpyrrolidine-2-carboxylic acid [2-(2-adamantylamino)-2-keto-ethyl] ester Formula: C23H29FN2O5S MolecularWeight: 464.550163

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)S(=O)(=O)C2=CC=CC=C2F)C(=O)OCC(=O)NC3C4CC5CC(C4)CC3C5

Isomeric SMILES

C1CC(N(C1)S(=O)(=O)C2=CC=CC=C2F)C(=O)OCC(=O)NC3C4CC5CC(C4)CC3C5

InChI

InChI=1S/C23H29FN2O5S/c24-18-4-1-2-6-20(18)32(29,30)26-7-3-5-19(26)23(28)31-13-21(27)25-22-16-9-14-8-15(11-16)12-17(22)10-14/h1-2,4,6,14-17,19,22H,3,5,7-13H2,(H,25,27)