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

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

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Descriptors Computed from Structure

Canonical SMILES:

CSC1CCC2(C1)CC(CN2S(=O)(=O)OC3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

CSC1CCC2(C1)CC(CN2S(=O)(=O)OC3=CC=CC=C3)CC4=CC=CC=C4

InChI

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