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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1CCC2(C1)CC(CN2C3=CC=CC=C3O)S(=O)(=O)OC4=CC=CC=C4

Isomeric SMILES

CSC1CCC2(C1)CC(CN2C3=CC=CC=C3O)S(=O)(=O)OC4=CC=CC=C4

InChI

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