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

Systemtic Name: phenyl 4-fluoranyl-10-(2-hydroxyphenyl)-11-azaspiro[5.5]undecane-11-sulfonate Openeye Name: phenyl 4-fluoro-10-(2-hydroxyphenyl)-11-azaspiro[5.5]undecane-11-sulfonate CAS Name: 4-fluoro-10-(2-hydroxyphenyl)-11-azaspiro[5.5]undecane-11-sulfonic acid phenyl ester IUPAC Name: phenyl 4-fluoro-10-(2-hydroxyphenyl)-11-azaspiro[5.5]undecane-11-sulfonate Traditional Name: 4-fluoro-10-(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)C4=CC=CC=C4O)F

Isomeric SMILES

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

InChI

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