phenyl 10-fluoranyl-4-(2-hydroxyphenyl)-11-azaspiro[5.5]undecane-11-sulfonate

Systemtic Name: phenyl 10-fluoranyl-4-(2-hydroxyphenyl)-11-azaspiro[5.5]undecane-11-sulfonate Openeye Name: phenyl 10-fluoro-4-(2-hydroxyphenyl)-11-azaspiro[5.5]undecane-11-sulfonate CAS Name: 10-fluoro-4-(2-hydroxyphenyl)-11-azaspiro[5.5]undecane-11-sulfonic acid phenyl ester IUPAC Name: phenyl 10-fluoro-4-(2-hydroxyphenyl)-11-azaspiro[5.5]undecane-11-sulfonate Traditional Name: 10-fluoro-4-(2-hydroxyphenyl)-11-azaspiro[5.5]undecane-11-sulfonic acid phenyl ester Formula: C22H26FNO4S MolecularWeight: 419.509543

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CC2(C1)CCCC(N2S(=O)(=O)OC3=CC=CC=C3)F)C4=CC=CC=C4O

Isomeric SMILES

C1CC(CC2(C1)CCCC(N2S(=O)(=O)OC3=CC=CC=C3)F)C4=CC=CC=C4O

InChI

InChI=1S/C22H26FNO4S/c23-21-13-7-15-22(24(21)29(26,27)28-18-9-2-1-3-10-18)14-6-8-17(16-22)19-11-4-5-12-20(19)25/h1-5,9-12,17,21,25H,6-8,13-16H2