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

Systemtic Name: phenyl 7-(phenylmethyl)-9-(phenylsulfonyl)-9-azaspiro[4.4]nonane-3-sulfonate Openeye Name: phenyl 9-(benzenesulfonyl)-7-benzyl-9-azaspiro[4.4]nonane-3-sulfonate CAS Name: 9-(benzenesulfonyl)-7-(phenylmethyl)-9-azaspiro[4.4]nonane-3-sulfonic acid phenyl ester IUPAC Name: phenyl 9-(benzenesulfonyl)-7-benzyl-9-azaspiro[4.4]nonane-3-sulfonate Traditional Name: 7-benzyl-9-besyl-9-azaspiro[4.4]nonane-3-sulfonic acid phenyl ester Formula: C27H29NO5S2 MolecularWeight: 511.65286

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2(CC1S(=O)(=O)OC3=CC=CC=C3)CC(CN2S(=O)(=O)C4=CC=CC=C4)CC5=CC=CC=C5

Isomeric SMILES

C1CC2(CC1S(=O)(=O)OC3=CC=CC=C3)CC(CN2S(=O)(=O)C4=CC=CC=C4)CC5=CC=CC=C5

InChI

InChI=1S/C27H29NO5S2/c29-34(30,25-14-8-3-9-15-25)28-21-23(18-22-10-4-1-5-11-22)19-27(28)17-16-26(20-27)35(31,32)33-24-12-6-2-7-13-24/h1-15,23,26H,16-21H2