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

Systemtic Name: phenyl 11-chloranyl-4-(phenylsulfonyl)-11-azaspiro[5.5]undecane-10-sulfonate Openeye Name: phenyl 4-(benzenesulfonyl)-11-chloro-11-azaspiro[5.5]undecane-10-sulfonate CAS Name: 4-(benzenesulfonyl)-11-chloro-11-azaspiro[5.5]undecane-10-sulfonic acid phenyl ester IUPAC Name: phenyl 4-(benzenesulfonyl)-11-chloro-11-azaspiro[5.5]undecane-10-sulfonate Traditional Name: 4-besyl-11-chloro-11-azaspiro[5.5]undecane-10-sulfonic acid phenyl ester Formula: C22H26ClNO5S2 MolecularWeight: 484.02854

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CC2(C1)CCCC(N2Cl)S(=O)(=O)OC3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C1CC(CC2(C1)CCCC(N2Cl)S(=O)(=O)OC3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C22H26ClNO5S2/c23-24-21(31(27,28)29-18-9-3-1-4-10-18)14-8-16-22(24)15-7-13-20(17-22)30(25,26)19-11-5-2-6-12-19/h1-6,9-12,20-21H,7-8,13-17H2