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

Systemtic Name: phenyl 7-methylsulfanyl-9-(phenylmethyl)-9-azaspiro[4.4]nonane-3-sulfonate Openeye Name: phenyl 9-benzyl-7-methylsulfanyl-9-azaspiro[4.4]nonane-3-sulfonate CAS Name: 7-(methylthio)-9-(phenylmethyl)-9-azaspiro[4.4]nonane-3-sulfonic acid phenyl ester IUPAC Name: phenyl 9-benzyl-7-methylsulfanyl-9-azaspiro[4.4]nonane-3-sulfonate Traditional Name: 9-benzyl-7-(methylthio)-9-azaspiro[4.4]nonane-3-sulfonic acid phenyl ester Formula: C22H27NO3S2 MolecularWeight: 417.58468

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Descriptors Computed from Structure

Canonical SMILES:

CSC1CC2(CCC(C2)S(=O)(=O)OC3=CC=CC=C3)N(C1)CC4=CC=CC=C4

Isomeric SMILES

CSC1CC2(CCC(C2)S(=O)(=O)OC3=CC=CC=C3)N(C1)CC4=CC=CC=C4

InChI

InChI=1S/C22H27NO3S2/c1-27-20-14-22(23(17-20)16-18-8-4-2-5-9-18)13-12-21(15-22)28(24,25)26-19-10-6-3-7-11-19/h2-11,20-21H,12-17H2,1H3