phenyl 7-bromanyl-3-(2-hydroxyphenyl)-9-azaspiro[4.4]nonane-9-sulfonate

Systemtic Name: phenyl 7-bromanyl-3-(2-hydroxyphenyl)-9-azaspiro[4.4]nonane-9-sulfonate Openeye Name: phenyl 7-bromo-3-(2-hydroxyphenyl)-9-azaspiro[4.4]nonane-9-sulfonate CAS Name: 7-bromo-3-(2-hydroxyphenyl)-9-azaspiro[4.4]nonane-9-sulfonic acid phenyl ester IUPAC Name: phenyl 7-bromo-3-(2-hydroxyphenyl)-9-azaspiro[4.4]nonane-9-sulfonate Traditional Name: 7-bromo-3-(2-hydroxyphenyl)-9-azaspiro[4.4]nonane-9-sulfonic acid phenyl ester Formula: C20H22BrNO4S MolecularWeight: 452.36198

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2(CC1C3=CC=CC=C3O)CC(CN2S(=O)(=O)OC4=CC=CC=C4)Br

Isomeric SMILES

C1CC2(CC1C3=CC=CC=C3O)CC(CN2S(=O)(=O)OC4=CC=CC=C4)Br

InChI

InChI=1S/C20H22BrNO4S/c21-16-13-20(11-10-15(12-20)18-8-4-5-9-19(18)23)22(14-16)27(24,25)26-17-6-2-1-3-7-17/h1-9,15-16,23H,10-14H2