phenyl 10-methylsulfanyl-3-propan-2-ylsulfonyl-10-azaspiro[4.5]decane-6-sulfonate

Systemtic Name: phenyl 10-methylsulfanyl-3-propan-2-ylsulfonyl-10-azaspiro[4.5]decane-6-sulfonate Openeye Name: phenyl 3-isopropylsulfonyl-10-methylsulfanyl-10-azaspiro[4.5]decane-6-sulfonate CAS Name: 10-(methylthio)-3-propan-2-ylsulfonyl-10-azaspiro[4.5]decane-6-sulfonic acid phenyl ester IUPAC Name: phenyl 10-methylsulfanyl-3-propan-2-ylsulfonyl-10-azaspiro[4.5]decane-6-sulfonate Traditional Name: 3-isopropylsulfonyl-10-(methylthio)-10-azaspiro[4.5]decane-6-sulfonic acid phenyl ester Formula: C19H29NO5S3 MolecularWeight: 447.63226

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)C1CCC2(C1)C(CCCN2SC)S(=O)(=O)OC3=CC=CC=C3

Isomeric SMILES

CC(C)S(=O)(=O)C1CCC2(C1)C(CCCN2SC)S(=O)(=O)OC3=CC=CC=C3

InChI

InChI=1S/C19H29NO5S3/c1-15(2)27(21,22)17-11-12-19(14-17)18(10-7-13-20(19)26-3)28(23,24)25-16-8-5-4-6-9-16/h4-6,8-9,15,17-18H,7,10-14H2,1-3H3