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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)C1CC2(CCC(C2)S(=O)(=O)OC3=CC=CC=C3)N(C1)SC

Isomeric SMILES

CC(C)S(=O)(=O)C1CC2(CCC(C2)S(=O)(=O)OC3=CC=CC=C3)N(C1)SC

InChI

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