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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1CCC2(C1)CC(CN2C3=CC=CC=C3O)S(=O)(=O)OC4=CC=CC=C4

Isomeric SMILES

CCOC1CCC2(C1)CC(CN2C3=CC=CC=C3O)S(=O)(=O)OC4=CC=CC=C4

InChI

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