phenyl 7-methylsulfanyl-9-propan-2-ylsulfonyl-9-azaspiro[4.4]nonane-3-sulfonate

Systemtic Name: phenyl 7-methylsulfanyl-9-propan-2-ylsulfonyl-9-azaspiro[4.4]nonane-3-sulfonate Openeye Name: phenyl 9-isopropylsulfonyl-7-methylsulfanyl-9-azaspiro[4.4]nonane-3-sulfonate CAS Name: 7-(methylthio)-9-propan-2-ylsulfonyl-9-azaspiro[4.4]nonane-3-sulfonic acid phenyl ester IUPAC Name: phenyl 7-methylsulfanyl-9-propan-2-ylsulfonyl-9-azaspiro[4.4]nonane-3-sulfonate Traditional Name: 9-isopropylsulfonyl-7-(methylthio)-9-azaspiro[4.4]nonane-3-sulfonic acid phenyl ester Formula: C18H27NO5S3 MolecularWeight: 433.60568

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)N1CC(CC12CCC(C2)S(=O)(=O)OC3=CC=CC=C3)SC

Isomeric SMILES

CC(C)S(=O)(=O)N1CC(CC12CCC(C2)S(=O)(=O)OC3=CC=CC=C3)SC

InChI

InChI=1S/C18H27NO5S3/c1-14(2)26(20,21)19-13-16(25-3)11-18(19)10-9-17(12-18)27(22,23)24-15-7-5-4-6-8-15/h4-8,14,16-17H,9-13H2,1-3H3