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

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

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Descriptors Computed from Structure

Canonical SMILES:

CSC1CCC2(C1)CC(CN2S(=O)(=O)OC3=CC=CC=C3)C4=CC=CC=C4O

Isomeric SMILES

CSC1CCC2(C1)CC(CN2S(=O)(=O)OC3=CC=CC=C3)C4=CC=CC=C4O

InChI

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