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

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

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Descriptors Computed from Structure

Canonical SMILES:

CSC1CCCC2(N1S(=O)(=O)OC3=CC=CC=C3)CCCC(C2)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CSC1CCCC2(N1S(=O)(=O)OC3=CC=CC=C3)CCCC(C2)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C23H29NO5S3/c1-30-22-15-9-17-23(24(22)32(27,28)29-19-10-4-2-5-11-19)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