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

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

CSN1CC(CC12CCC(C2)S(=O)(=O)C3=CC=CC=C3)S(=O)(=O)OC4=CC=CC=C4

Isomeric SMILES

CSN1CC(CC12CCC(C2)S(=O)(=O)C3=CC=CC=C3)S(=O)(=O)OC4=CC=CC=C4

InChI

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