ethyl 3-(4-methylisoquinolin-5-yl)sulfonyl-3,6-diazabicyclo[3.2.2]nonane-6-carboxylate

Systemtic Name: ethyl 3-(4-methylisoquinolin-5-yl)sulfonyl-3,6-diazabicyclo[3.2.2]nonane-6-carboxylate Openeye Name: ethyl 3-[(4-methyl-5-isoquinolyl)sulfonyl]-3,6-diazabicyclo[3.2.2]nonane-6-carboxylate CAS Name: 3-[(4-methyl-5-isoquinolinyl)sulfonyl]-3,6-diazabicyclo[3.2.2]nonane-6-carboxylic acid ethyl ester IUPAC Name: ethyl 3-(4-methylisoquinolin-5-yl)sulfonyl-3,6-diazabicyclo[3.2.2]nonane-6-carboxylate Traditional Name: 3-[(4-methyl-5-isoquinolyl)sulfonyl]-3,6-diazabicyclo[3.2.2]nonane-6-carboxylic acid ethyl ester Formula: C20H25N3O4S MolecularWeight: 403.4952

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CC2CCC1CN(C2)S(=O)(=O)C3=CC=CC4=CN=CC(=C43)C

Isomeric SMILES

CCOC(=O)N1CC2CCC1CN(C2)S(=O)(=O)C3=CC=CC4=CN=CC(=C43)C

InChI

InChI=1S/C20H25N3O4S/c1-3-27-20(24)23-12-15-7-8-17(23)13-22(11-15)28(25,26)18-6-4-5-16-10-21-9-14(2)19(16)18/h4-6,9-10,15,17H,3,7-8,11-13H2,1-2H3