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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)C1CCCN(C12CCC(C2)S(=O)(=O)OC3=CC=CC=C3)SC

Isomeric SMILES

CC(C)S(=O)(=O)C1CCCN(C12CCC(C2)S(=O)(=O)OC3=CC=CC=C3)SC

InChI

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