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

Systemtic Name: phenyl 3-oxidanyl-9-(phenylmethyl)-9-azaspiro[4.4]nonane-7-sulfonate Openeye Name: phenyl 9-benzyl-3-hydroxy-9-azaspiro[4.4]nonane-7-sulfonate CAS Name: 3-hydroxy-9-(phenylmethyl)-9-azaspiro[4.4]nonane-7-sulfonic acid phenyl ester IUPAC Name: phenyl 9-benzyl-3-hydroxy-9-azaspiro[4.4]nonane-7-sulfonate Traditional Name: 9-benzyl-3-hydroxy-9-azaspiro[4.4]nonane-7-sulfonic acid phenyl ester Formula: C21H25NO4S MolecularWeight: 387.4925

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2(CC1O)CC(CN2CC3=CC=CC=C3)S(=O)(=O)OC4=CC=CC=C4

Isomeric SMILES

C1CC2(CC1O)CC(CN2CC3=CC=CC=C3)S(=O)(=O)OC4=CC=CC=C4

InChI

InChI=1S/C21H25NO4S/c23-18-11-12-21(13-18)14-20(16-22(21)15-17-7-3-1-4-8-17)27(24,25)26-19-9-5-2-6-10-19/h1-10,18,20,23H,11-16H2