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

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

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Descriptors Computed from Structure

Canonical SMILES:

CSC1CCCC2(N1S(=O)(=O)OC3=CC=CC=C3)CCCC(C2)C4=CC=CC=C4O

Isomeric SMILES

CSC1CCCC2(N1S(=O)(=O)OC3=CC=CC=C3)CCCC(C2)C4=CC=CC=C4O

InChI

InChI=1S/C23H29NO4S2/c1-29-22-14-8-16-23(24(22)30(26,27)28-19-10-3-2-4-11-19)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