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

Systemtic Name: phenyl 9-methylsulfanyl-3-(phenylmethyl)-9-azaspiro[4.4]nonane-7-sulfonate Openeye Name: phenyl 3-benzyl-9-methylsulfanyl-9-azaspiro[4.4]nonane-7-sulfonate CAS Name: 9-(methylthio)-3-(phenylmethyl)-9-azaspiro[4.4]nonane-7-sulfonic acid phenyl ester IUPAC Name: phenyl 3-benzyl-9-methylsulfanyl-9-azaspiro[4.4]nonane-7-sulfonate Traditional Name: 3-benzyl-9-(methylthio)-9-azaspiro[4.4]nonane-7-sulfonic acid phenyl ester Formula: C22H27NO3S2 MolecularWeight: 417.58468

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSN1CC(CC12CCC(C2)CC3=CC=CC=C3)S(=O)(=O)OC4=CC=CC=C4

Isomeric SMILES

CSN1CC(CC12CCC(C2)CC3=CC=CC=C3)S(=O)(=O)OC4=CC=CC=C4

InChI

InChI=1S/C22H27NO3S2/c1-27-23-17-21(28(24,25)26-20-10-6-3-7-11-20)16-22(23)13-12-19(15-22)14-18-8-4-2-5-9-18/h2-11,19,21H,12-17H2,1H3