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

Systemtic Name: phenyl 3-(2-hydroxyphenyl)-9-(phenylsulfonyl)-9-azaspiro[4.4]nonane-7-sulfonate Openeye Name: phenyl 9-(benzenesulfonyl)-3-(2-hydroxyphenyl)-9-azaspiro[4.4]nonane-7-sulfonate CAS Name: 9-(benzenesulfonyl)-3-(2-hydroxyphenyl)-9-azaspiro[4.4]nonane-7-sulfonic acid phenyl ester IUPAC Name: phenyl 9-(benzenesulfonyl)-3-(2-hydroxyphenyl)-9-azaspiro[4.4]nonane-7-sulfonate Traditional Name: 9-besyl-3-(2-hydroxyphenyl)-9-azaspiro[4.4]nonane-7-sulfonic acid phenyl ester Formula: C26H27NO6S2 MolecularWeight: 513.62568

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2(CC1C3=CC=CC=C3O)CC(CN2S(=O)(=O)C4=CC=CC=C4)S(=O)(=O)OC5=CC=CC=C5

Isomeric SMILES

C1CC2(CC1C3=CC=CC=C3O)CC(CN2S(=O)(=O)C4=CC=CC=C4)S(=O)(=O)OC5=CC=CC=C5

InChI

InChI=1S/C26H27NO6S2/c28-25-14-8-7-13-24(25)20-15-16-26(17-20)18-23(35(31,32)33-21-9-3-1-4-10-21)19-27(26)34(29,30)22-11-5-2-6-12-22/h1-14,20,23,28H,15-19H2