phenyl 3-ethoxy-7-(2-hydroxyphenyl)-9-azaspiro[4.4]nonane-9-sulfonate

Systemtic Name: phenyl 3-ethoxy-7-(2-hydroxyphenyl)-9-azaspiro[4.4]nonane-9-sulfonate Openeye Name: phenyl 3-ethoxy-7-(2-hydroxyphenyl)-9-azaspiro[4.4]nonane-9-sulfonate CAS Name: 3-ethoxy-7-(2-hydroxyphenyl)-9-azaspiro[4.4]nonane-9-sulfonic acid phenyl ester IUPAC Name: phenyl 3-ethoxy-7-(2-hydroxyphenyl)-9-azaspiro[4.4]nonane-9-sulfonate Traditional Name: 3-ethoxy-7-(2-hydroxyphenyl)-9-azaspiro[4.4]nonane-9-sulfonic acid phenyl ester Formula: C22H27NO5S MolecularWeight: 417.51848

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1CCC2(C1)CC(CN2S(=O)(=O)OC3=CC=CC=C3)C4=CC=CC=C4O

Isomeric SMILES

CCOC1CCC2(C1)CC(CN2S(=O)(=O)OC3=CC=CC=C3)C4=CC=CC=C4O

InChI

InChI=1S/C22H27NO5S/c1-2-27-19-12-13-22(15-19)14-17(20-10-6-7-11-21(20)24)16-23(22)29(25,26)28-18-8-4-3-5-9-18/h3-11,17,19,24H,2,12-16H2,1H3