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

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

CSC1CC2(CCC(C2)C3=CC=CC=C3O)N(C1)S(=O)(=O)OC4=CC=CC=C4

Isomeric SMILES

CSC1CC2(CCC(C2)C3=CC=CC=C3O)N(C1)S(=O)(=O)OC4=CC=CC=C4

InChI

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