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

Systemtic Name: phenyl 9-ethoxy-3-(phenylsulfonyl)-9-azaspiro[4.4]nonane-7-sulfonate Openeye Name: phenyl 3-(benzenesulfonyl)-9-ethoxy-9-azaspiro[4.4]nonane-7-sulfonate CAS Name: 3-(benzenesulfonyl)-9-ethoxy-9-azaspiro[4.4]nonane-7-sulfonic acid phenyl ester IUPAC Name: phenyl 3-(benzenesulfonyl)-9-ethoxy-9-azaspiro[4.4]nonane-7-sulfonate Traditional Name: 3-besyl-9-ethoxy-9-azaspiro[4.4]nonane-7-sulfonic acid phenyl ester Formula: C22H27NO6S2 MolecularWeight: 465.58288

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Descriptors Computed from Structure

Canonical SMILES:

CCON1CC(CC12CCC(C2)S(=O)(=O)C3=CC=CC=C3)S(=O)(=O)OC4=CC=CC=C4

Isomeric SMILES

CCON1CC(CC12CCC(C2)S(=O)(=O)C3=CC=CC=C3)S(=O)(=O)OC4=CC=CC=C4

InChI

InChI=1S/C22H27NO6S2/c1-2-28-23-17-21(31(26,27)29-18-9-5-3-6-10-18)16-22(23)14-13-20(15-22)30(24,25)19-11-7-4-8-12-19/h3-12,20-21H,2,13-17H2,1H3