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

Systemtic Name: phenyl 3-methylsulfanyl-9-(phenylsulfonyl)-9-azaspiro[4.4]nonane-7-sulfonate Openeye Name: phenyl 9-(benzenesulfonyl)-3-methylsulfanyl-9-azaspiro[4.4]nonane-7-sulfonate CAS Name: 9-(benzenesulfonyl)-3-(methylthio)-9-azaspiro[4.4]nonane-7-sulfonic acid phenyl ester IUPAC Name: phenyl 9-(benzenesulfonyl)-3-methylsulfanyl-9-azaspiro[4.4]nonane-7-sulfonate Traditional Name: 9-besyl-3-(methylthio)-9-azaspiro[4.4]nonane-7-sulfonic acid phenyl ester Formula: C21H25NO5S3 MolecularWeight: 467.6219

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Descriptors Computed from Structure

Canonical SMILES:

CSC1CCC2(C1)CC(CN2S(=O)(=O)C3=CC=CC=C3)S(=O)(=O)OC4=CC=CC=C4

Isomeric SMILES

CSC1CCC2(C1)CC(CN2S(=O)(=O)C3=CC=CC=C3)S(=O)(=O)OC4=CC=CC=C4

InChI

InChI=1S/C21H25NO5S3/c1-28-18-12-13-21(14-18)15-20(30(25,26)27-17-8-4-2-5-9-17)16-22(21)29(23,24)19-10-6-3-7-11-19/h2-11,18,20H,12-16H2,1H3