phenyl 4,10-bis(phenylmethyl)-11-azaspiro[5.5]undecane-11-sulfonate

Systemtic Name: phenyl 4,10-bis(phenylmethyl)-11-azaspiro[5.5]undecane-11-sulfonate Openeye Name: phenyl 4,10-dibenzyl-11-azaspiro[5.5]undecane-11-sulfonate CAS Name: 4,10-bis(phenylmethyl)-11-azaspiro[5.5]undecane-11-sulfonic acid phenyl ester IUPAC Name: phenyl 4,10-dibenzyl-11-azaspiro[5.5]undecane-11-sulfonate Traditional Name: 4,10-dibenzyl-11-azaspiro[5.5]undecane-11-sulfonic acid phenyl ester Formula: C30H35NO3S MolecularWeight: 489.6688

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CC2(C1)CCCC(N2S(=O)(=O)OC3=CC=CC=C3)CC4=CC=CC=C4)CC5=CC=CC=C5

Isomeric SMILES

C1CC(CC2(C1)CCCC(N2S(=O)(=O)OC3=CC=CC=C3)CC4=CC=CC=C4)CC5=CC=CC=C5

InChI

InChI=1S/C30H35NO3S/c32-35(33,34-29-18-8-3-9-19-29)31-28(23-26-14-6-2-7-15-26)17-11-21-30(31)20-10-16-27(24-30)22-25-12-4-1-5-13-25/h1-9,12-15,18-19,27-28H,10-11,16-17,20-24H2