phenyl 11-methylsulfanyl-4-(phenylsulfonyl)-11-azaspiro[5.5]undecane-10-sulfonate

Systemtic Name: phenyl 11-methylsulfanyl-4-(phenylsulfonyl)-11-azaspiro[5.5]undecane-10-sulfonate Openeye Name: phenyl 4-(benzenesulfonyl)-11-methylsulfanyl-11-azaspiro[5.5]undecane-10-sulfonate CAS Name: 4-(benzenesulfonyl)-11-(methylthio)-11-azaspiro[5.5]undecane-10-sulfonic acid phenyl ester IUPAC Name: phenyl 4-(benzenesulfonyl)-11-methylsulfanyl-11-azaspiro[5.5]undecane-10-sulfonate Traditional Name: 4-besyl-11-(methylthio)-11-azaspiro[5.5]undecane-10-sulfonic acid phenyl ester Formula: C23H29NO5S3 MolecularWeight: 495.67506

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Descriptors Computed from Structure

Canonical SMILES:

CSN1C(CCCC12CCCC(C2)S(=O)(=O)C3=CC=CC=C3)S(=O)(=O)OC4=CC=CC=C4

Isomeric SMILES

CSN1C(CCCC12CCCC(C2)S(=O)(=O)C3=CC=CC=C3)S(=O)(=O)OC4=CC=CC=C4

InChI

InChI=1S/C23H29NO5S3/c1-30-24-22(32(27,28)29-19-10-4-2-5-11-19)15-9-17-23(24)16-8-14-21(18-23)31(25,26)20-12-6-3-7-13-20/h2-7,10-13,21-22H,8-9,14-18H2,1H3