tert-butyl 4-(4-bromanylisoquinolin-5-yl)sulfonyl-1,4-diazepane-1-carboxylate

Systemtic Name: tert-butyl 4-(4-bromanylisoquinolin-5-yl)sulfonyl-1,4-diazepane-1-carboxylate Openeye Name: tert-butyl 4-[(4-bromo-5-isoquinolyl)sulfonyl]-1,4-diazepane-1-carboxylate CAS Name: 4-[(4-bromo-5-isoquinolinyl)sulfonyl]-1,4-diazepane-1-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(4-bromoisoquinolin-5-yl)sulfonyl-1,4-diazepane-1-carboxylate Traditional Name: 4-[(4-bromo-5-isoquinolyl)sulfonyl]-1,4-diazepane-1-carboxylic acid tert-butyl ester Formula: C19H24BrN3O4S MolecularWeight: 470.38056

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCN(CC1)S(=O)(=O)C2=CC=CC3=CN=CC(=C32)Br

Isomeric SMILES

CC(C)(C)OC(=O)N1CCCN(CC1)S(=O)(=O)C2=CC=CC3=CN=CC(=C32)Br

InChI

InChI=1S/C19H24BrN3O4S/c1-19(2,3)27-18(24)22-8-5-9-23(11-10-22)28(25,26)16-7-4-6-14-12-21-13-15(20)17(14)16/h4,6-7,12-13H,5,8-11H2,1-3H3