phenyl 3-iodanyl-9-(phenylsulfonyl)-9-azaspiro[4.4]nonane-7-sulfonate

Systemtic Name: phenyl 3-iodanyl-9-(phenylsulfonyl)-9-azaspiro[4.4]nonane-7-sulfonate Openeye Name: phenyl 9-(benzenesulfonyl)-3-iodo-9-azaspiro[4.4]nonane-7-sulfonate CAS Name: 9-(benzenesulfonyl)-3-iodo-9-azaspiro[4.4]nonane-7-sulfonic acid phenyl ester IUPAC Name: phenyl 9-(benzenesulfonyl)-3-iodo-9-azaspiro[4.4]nonane-7-sulfonate Traditional Name: 9-besyl-3-iodo-9-azaspiro[4.4]nonane-7-sulfonic acid phenyl ester Formula: C20H22INO5S2 MolecularWeight: 547.42685

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2(CC1I)CC(CN2S(=O)(=O)C3=CC=CC=C3)S(=O)(=O)OC4=CC=CC=C4

Isomeric SMILES

C1CC2(CC1I)CC(CN2S(=O)(=O)C3=CC=CC=C3)S(=O)(=O)OC4=CC=CC=C4

InChI

InChI=1S/C20H22INO5S2/c21-16-11-12-20(13-16)14-19(29(25,26)27-17-7-3-1-4-8-17)15-22(20)28(23,24)18-9-5-2-6-10-18/h1-10,16,19H,11-15H2