phenyl 10-methoxy-4-methylsulfanyl-11-azaspiro[5.5]undecane-11-sulfonate

Systemtic Name: phenyl 10-methoxy-4-methylsulfanyl-11-azaspiro[5.5]undecane-11-sulfonate Openeye Name: phenyl 10-methoxy-4-methylsulfanyl-11-azaspiro[5.5]undecane-11-sulfonate CAS Name: 10-methoxy-4-(methylthio)-11-azaspiro[5.5]undecane-11-sulfonic acid phenyl ester IUPAC Name: phenyl 10-methoxy-4-methylsulfanyl-11-azaspiro[5.5]undecane-11-sulfonate Traditional Name: 10-methoxy-4-(methylthio)-11-azaspiro[5.5]undecane-11-sulfonic acid phenyl ester Formula: C18H27NO4S2 MolecularWeight: 385.54128

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1CCCC2(N1S(=O)(=O)OC3=CC=CC=C3)CCCC(C2)SC

Isomeric SMILES

COC1CCCC2(N1S(=O)(=O)OC3=CC=CC=C3)CCCC(C2)SC

InChI

InChI=1S/C18H27NO4S2/c1-22-17-11-7-13-18(12-6-10-16(14-18)24-2)19(17)25(20,21)23-15-8-4-3-5-9-15/h3-5,8-9,16-17H,6-7,10-14H2,1-2H3