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

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

CSN1CC(CC12CCC(C2)S(=O)(=O)OC3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

CSN1CC(CC12CCC(C2)S(=O)(=O)OC3=CC=CC=C3)CC4=CC=CC=C4

InChI

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