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

Systemtic Name: phenyl 9-bromanyl-3-(phenylsulfonyl)-9-azaspiro[4.4]nonane-7-sulfonate Openeye Name: phenyl 3-(benzenesulfonyl)-9-bromo-9-azaspiro[4.4]nonane-7-sulfonate CAS Name: 3-(benzenesulfonyl)-9-bromo-9-azaspiro[4.4]nonane-7-sulfonic acid phenyl ester IUPAC Name: phenyl 3-(benzenesulfonyl)-9-bromo-9-azaspiro[4.4]nonane-7-sulfonate Traditional Name: 3-besyl-9-bromo-9-azaspiro[4.4]nonane-7-sulfonic acid phenyl ester Formula: C20H22BrNO5S2 MolecularWeight: 500.42638

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2(CC1S(=O)(=O)C3=CC=CC=C3)CC(CN2Br)S(=O)(=O)OC4=CC=CC=C4

Isomeric SMILES

C1CC2(CC1S(=O)(=O)C3=CC=CC=C3)CC(CN2Br)S(=O)(=O)OC4=CC=CC=C4

InChI

InChI=1S/C20H22BrNO5S2/c21-22-15-19(29(25,26)27-16-7-3-1-4-8-16)14-20(22)12-11-18(13-20)28(23,24)17-9-5-2-6-10-17/h1-10,18-19H,11-15H2