phenyl 11-fluoranyl-4-(phenylsulfonyl)-11-azaspiro[5.5]undecane-10-sulfonate

Systemtic Name: phenyl 11-fluoranyl-4-(phenylsulfonyl)-11-azaspiro[5.5]undecane-10-sulfonate Openeye Name: phenyl 4-(benzenesulfonyl)-11-fluoro-11-azaspiro[5.5]undecane-10-sulfonate CAS Name: 4-(benzenesulfonyl)-11-fluoro-11-azaspiro[5.5]undecane-10-sulfonic acid phenyl ester IUPAC Name: phenyl 4-(benzenesulfonyl)-11-fluoro-11-azaspiro[5.5]undecane-10-sulfonate Traditional Name: 4-besyl-11-fluoro-11-azaspiro[5.5]undecane-10-sulfonic acid phenyl ester Formula: C22H26FNO5S2 MolecularWeight: 467.573943

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(CC2(C1)CCCC(N2F)S(=O)(=O)OC3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C1CC(CC2(C1)CCCC(N2F)S(=O)(=O)OC3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C22H26FNO5S2/c23-24-21(31(27,28)29-18-9-3-1-4-10-18)14-8-16-22(24)15-7-13-20(17-22)30(25,26)19-11-5-2-6-12-19/h1-6,9-12,20-21H,7-8,13-17H2