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

Systemtic Name: phenyl 3,9-bis(phenylmethyl)-9-azaspiro[4.4]nonane-7-sulfonate Openeye Name: phenyl 3,9-dibenzyl-9-azaspiro[4.4]nonane-7-sulfonate CAS Name: 3,9-bis(phenylmethyl)-9-azaspiro[4.4]nonane-7-sulfonic acid phenyl ester IUPAC Name: phenyl 3,9-dibenzyl-9-azaspiro[4.4]nonane-7-sulfonate Traditional Name: 3,9-dibenzyl-9-azaspiro[4.4]nonane-7-sulfonic acid phenyl ester Formula: C28H31NO3S MolecularWeight: 461.61564

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2(CC1CC3=CC=CC=C3)CC(CN2CC4=CC=CC=C4)S(=O)(=O)OC5=CC=CC=C5

Isomeric SMILES

C1CC2(CC1CC3=CC=CC=C3)CC(CN2CC4=CC=CC=C4)S(=O)(=O)OC5=CC=CC=C5

InChI

InChI=1S/C28H31NO3S/c30-33(31,32-26-14-8-3-9-15-26)27-20-28(29(22-27)21-24-12-6-2-7-13-24)17-16-25(19-28)18-23-10-4-1-5-11-23/h1-15,25,27H,16-22H2