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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1CCCC2(C1)CCCC(N2C3=CC=CC=C3O)S(=O)(=O)OC4=CC=CC=C4

Isomeric SMILES

CSC1CCCC2(C1)CCCC(N2C3=CC=CC=C3O)S(=O)(=O)OC4=CC=CC=C4

InChI

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