phenyl 3-(2-hydroxyphenyl)-9-methylsulfanyl-9-azaspiro[4.4]nonane-7-sulfonate

Systemtic Name: phenyl 3-(2-hydroxyphenyl)-9-methylsulfanyl-9-azaspiro[4.4]nonane-7-sulfonate Openeye Name: phenyl 3-(2-hydroxyphenyl)-9-methylsulfanyl-9-azaspiro[4.4]nonane-7-sulfonate CAS Name: 3-(2-hydroxyphenyl)-9-(methylthio)-9-azaspiro[4.4]nonane-7-sulfonic acid phenyl ester IUPAC Name: phenyl 3-(2-hydroxyphenyl)-9-methylsulfanyl-9-azaspiro[4.4]nonane-7-sulfonate Traditional Name: 3-(2-hydroxyphenyl)-9-(methylthio)-9-azaspiro[4.4]nonane-7-sulfonic acid phenyl ester Formula: C21H25NO4S2 MolecularWeight: 419.5575

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Descriptors Computed from Structure

Canonical SMILES:

CSN1CC(CC12CCC(C2)C3=CC=CC=C3O)S(=O)(=O)OC4=CC=CC=C4

Isomeric SMILES

CSN1CC(CC12CCC(C2)C3=CC=CC=C3O)S(=O)(=O)OC4=CC=CC=C4

InChI

InChI=1S/C21H25NO4S2/c1-27-22-15-18(28(24,25)26-17-7-3-2-4-8-17)14-21(22)12-11-16(13-21)19-9-5-6-10-20(19)23/h2-10,16,18,23H,11-15H2,1H3