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

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

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Descriptors Computed from Structure

Canonical SMILES:

CSC1CCC2(C1)CC(CN2CC3=CC=CC=C3)S(=O)(=O)OC4=CC=CC=C4

Isomeric SMILES

CSC1CCC2(C1)CC(CN2CC3=CC=CC=C3)S(=O)(=O)OC4=CC=CC=C4

InChI

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