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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)C1CCC2(C1)CC(CN2SC)S(=O)(=O)OC3=CC=CC=C3

Isomeric SMILES

CC(C)S(=O)(=O)C1CCC2(C1)CC(CN2SC)S(=O)(=O)OC3=CC=CC=C3

InChI

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