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

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

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Descriptors Computed from Structure

Canonical SMILES:

CSC1CC2(CCC(C2)S(=O)(=O)C3=CC=CC=C3)N(C1)S(=O)(=O)OC4=CC=CC=C4

Isomeric SMILES

CSC1CC2(CCC(C2)S(=O)(=O)C3=CC=CC=C3)N(C1)S(=O)(=O)OC4=CC=CC=C4

InChI

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