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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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