phenyl 6-methylsulfanyl-3-(phenylsulfonyl)-10-azaspiro[4.5]decane-10-sulfonate

Systemtic Name: phenyl 6-methylsulfanyl-3-(phenylsulfonyl)-10-azaspiro[4.5]decane-10-sulfonate Openeye Name: phenyl 3-(benzenesulfonyl)-6-methylsulfanyl-10-azaspiro[4.5]decane-10-sulfonate CAS Name: 3-(benzenesulfonyl)-6-(methylthio)-10-azaspiro[4.5]decane-10-sulfonic acid phenyl ester IUPAC Name: phenyl 3-(benzenesulfonyl)-6-methylsulfanyl-10-azaspiro[4.5]decane-10-sulfonate Traditional Name: 3-besyl-6-(methylthio)-10-azaspiro[4.5]decane-10-sulfonic acid phenyl ester Formula: C22H27NO5S3 MolecularWeight: 481.64848

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Descriptors Computed from Structure

Canonical SMILES:

CSC1CCCN(C12CCC(C2)S(=O)(=O)C3=CC=CC=C3)S(=O)(=O)OC4=CC=CC=C4

Isomeric SMILES

CSC1CCCN(C12CCC(C2)S(=O)(=O)C3=CC=CC=C3)S(=O)(=O)OC4=CC=CC=C4

InChI

InChI=1S/C22H27NO5S3/c1-29-21-13-8-16-23(31(26,27)28-18-9-4-2-5-10-18)22(21)15-14-20(17-22)30(24,25)19-11-6-3-7-12-19/h2-7,9-12,20-21H,8,13-17H2,1H3