phenyl 4-(2-hydroxyphenyl)-11-methylsulfanyl-11-azaspiro[5.5]undecane-10-sulfonate

Systemtic Name: phenyl 4-(2-hydroxyphenyl)-11-methylsulfanyl-11-azaspiro[5.5]undecane-10-sulfonate Openeye Name: phenyl 4-(2-hydroxyphenyl)-11-methylsulfanyl-11-azaspiro[5.5]undecane-10-sulfonate CAS Name: 4-(2-hydroxyphenyl)-11-(methylthio)-11-azaspiro[5.5]undecane-10-sulfonic acid phenyl ester IUPAC Name: phenyl 4-(2-hydroxyphenyl)-11-methylsulfanyl-11-azaspiro[5.5]undecane-10-sulfonate Traditional Name: 4-(2-hydroxyphenyl)-11-(methylthio)-11-azaspiro[5.5]undecane-10-sulfonic acid phenyl ester Formula: C23H29NO4S2 MolecularWeight: 447.61066

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Descriptors Computed from Structure

Canonical SMILES:

CSN1C(CCCC12CCCC(C2)C3=CC=CC=C3O)S(=O)(=O)OC4=CC=CC=C4

Isomeric SMILES

CSN1C(CCCC12CCCC(C2)C3=CC=CC=C3O)S(=O)(=O)OC4=CC=CC=C4

InChI

InChI=1S/C23H29NO4S2/c1-29-24-22(30(26,27)28-19-10-3-2-4-11-19)14-8-16-23(24)15-7-9-18(17-23)20-12-5-6-13-21(20)25/h2-6,10-13,18,22,25H,7-9,14-17H2,1H3