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

Systemtic Name: phenyl 9-(2-hydroxyphenyl)-3-(phenylsulfonyl)-9-azaspiro[4.4]nonane-7-sulfonate Openeye Name: phenyl 3-(benzenesulfonyl)-9-(2-hydroxyphenyl)-9-azaspiro[4.4]nonane-7-sulfonate CAS Name: 3-(benzenesulfonyl)-9-(2-hydroxyphenyl)-9-azaspiro[4.4]nonane-7-sulfonic acid phenyl ester IUPAC Name: phenyl 3-(benzenesulfonyl)-9-(2-hydroxyphenyl)-9-azaspiro[4.4]nonane-7-sulfonate Traditional Name: 3-besyl-9-(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(CC1S(=O)(=O)C3=CC=CC=C3)CC(CN2C4=CC=CC=C4O)S(=O)(=O)OC5=CC=CC=C5

Isomeric SMILES

C1CC2(CC1S(=O)(=O)C3=CC=CC=C3)CC(CN2C4=CC=CC=C4O)S(=O)(=O)OC5=CC=CC=C5

InChI

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