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

Systemtic Name: phenyl 9-iodanyl-7-(phenylmethyl)-9-azaspiro[4.4]nonane-3-sulfonate Openeye Name: phenyl 7-benzyl-9-iodo-9-azaspiro[4.4]nonane-3-sulfonate CAS Name: 9-iodo-7-(phenylmethyl)-9-azaspiro[4.4]nonane-3-sulfonic acid phenyl ester IUPAC Name: phenyl 7-benzyl-9-iodo-9-azaspiro[4.4]nonane-3-sulfonate Traditional Name: 7-benzyl-9-iodo-9-azaspiro[4.4]nonane-3-sulfonic acid phenyl ester Formula: C21H24INO3S MolecularWeight: 497.38963

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2(CC1S(=O)(=O)OC3=CC=CC=C3)CC(CN2I)CC4=CC=CC=C4

Isomeric SMILES

C1CC2(CC1S(=O)(=O)OC3=CC=CC=C3)CC(CN2I)CC4=CC=CC=C4

InChI

InChI=1S/C21H24INO3S/c22-23-16-18(13-17-7-3-1-4-8-17)14-21(23)12-11-20(15-21)27(24,25)26-19-9-5-2-6-10-19/h1-10,18,20H,11-16H2