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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2(CC1CC3=CC=CC=C3)CC(CN2S(=O)(=O)OC4=CC=CC=C4)C5=CC=CC=C5O

Isomeric SMILES

C1CC2(CC1CC3=CC=CC=C3)CC(CN2S(=O)(=O)OC4=CC=CC=C4)C5=CC=CC=C5O

InChI

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