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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2(CC1CC3=CC=CC=C3)CC(CN2S(=O)(=O)OC4=CC=CC=C4)I

Isomeric SMILES

C1CC2(CC1CC3=CC=CC=C3)CC(CN2S(=O)(=O)OC4=CC=CC=C4)I

InChI

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