(1-ethyl-5-morpholin-4-ylsulfonyl-benzimidazol-2-yl)methyl 9-oxidanylidenebicyclo[3.3.1]nonane-3-carboxylate

Systemtic Name: (1-ethyl-5-morpholin-4-ylsulfonyl-benzimidazol-2-yl)methyl 9-oxidanylidenebicyclo[3.3.1]nonane-3-carboxylate Openeye Name: (1-ethyl-5-morpholinosulfonyl-benzimidazol-2-yl)methyl 9-oxobicyclo[3.3.1]nonane-3-carboxylate CAS Name: 9-oxo-3-bicyclo[3.3.1]nonanecarboxylic acid [1-ethyl-5-(4-morpholinylsulfonyl)-2-benzimidazolyl]methyl ester IUPAC Name: (1-ethyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)methyl 9-oxobicyclo[3.3.1]nonane-3-carboxylate Traditional Name: 9-ketobicyclo[3.3.1]nonane-3-carboxylic acid (1-ethyl-5-morpholinosulfonyl-benzimidazol-2-yl)methyl ester Formula: C24H31N3O6S MolecularWeight: 489.58444

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)N=C1COC(=O)C4CC5CCCC(C4)C5=O

Isomeric SMILES

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)N=C1COC(=O)C4CC5CCCC(C4)C5=O

InChI

InChI=1S/C24H31N3O6S/c1-2-27-21-7-6-19(34(30,31)26-8-10-32-11-9-26)14-20(21)25-22(27)15-33-24(29)18-12-16-4-3-5-17(13-18)23(16)28/h6-7,14,16-18H,2-5,8-13,15H2,1H3