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

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

CSC1CCCC2(C1)CCCC(N2S(=O)(=O)C3=CC=CC=C3)S(=O)(=O)OC4=CC=CC=C4

Isomeric SMILES

CSC1CCCC2(C1)CCCC(N2S(=O)(=O)C3=CC=CC=C3)S(=O)(=O)OC4=CC=CC=C4

InChI

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