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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2(CC1S(=O)(=O)C3=CC=CC=C3)CC(CN2S(=O)(=O)OC4=CC=CC=C4)C5=CC=CC=C5O

Isomeric SMILES

C1CC2(CC1S(=O)(=O)C3=CC=CC=C3)CC(CN2S(=O)(=O)OC4=CC=CC=C4)C5=CC=CC=C5O

InChI

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