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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2(CC1S(=O)(=O)C3=CC=CC=C3)CC(CN2CC4=CC=CC=C4)S(=O)(=O)OC5=CC=CC=C5

Isomeric SMILES

C1CC2(CC1S(=O)(=O)C3=CC=CC=C3)CC(CN2CC4=CC=CC=C4)S(=O)(=O)OC5=CC=CC=C5

InChI

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