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

Systemtic Name: phenyl 9-(2-hydroxyphenyl)-7-(phenylmethyl)-9-azaspiro[4.4]nonane-3-sulfonate Openeye Name: phenyl 7-benzyl-9-(2-hydroxyphenyl)-9-azaspiro[4.4]nonane-3-sulfonate CAS Name: 9-(2-hydroxyphenyl)-7-(phenylmethyl)-9-azaspiro[4.4]nonane-3-sulfonic acid phenyl ester IUPAC Name: phenyl 7-benzyl-9-(2-hydroxyphenyl)-9-azaspiro[4.4]nonane-3-sulfonate Traditional Name: 7-benzyl-9-(2-hydroxyphenyl)-9-azaspiro[4.4]nonane-3-sulfonic acid phenyl ester Formula: C27H29NO4S MolecularWeight: 463.58846

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2(CC1S(=O)(=O)OC3=CC=CC=C3)CC(CN2C4=CC=CC=C4O)CC5=CC=CC=C5

Isomeric SMILES

C1CC2(CC1S(=O)(=O)OC3=CC=CC=C3)CC(CN2C4=CC=CC=C4O)CC5=CC=CC=C5

InChI

InChI=1S/C27H29NO4S/c29-26-14-8-7-13-25(26)28-20-22(17-21-9-3-1-4-10-21)18-27(28)16-15-24(19-27)33(30,31)32-23-11-5-2-6-12-23/h1-14,22,24,29H,15-20H2