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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CC2(C1)CCCC(N2C3=CC=CC=C3O)F)S(=O)(=O)OC4=CC=CC=C4

Isomeric SMILES

C1CC(CC2(C1)CCCC(N2C3=CC=CC=C3O)F)S(=O)(=O)OC4=CC=CC=C4

InChI

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