tert-butyl 4-(4-bromanylisoquinolin-5-yl)sulfonyl-7-methyl-1,4-diazepane-1-carboxylate

Systemtic Name: tert-butyl 4-(4-bromanylisoquinolin-5-yl)sulfonyl-7-methyl-1,4-diazepane-1-carboxylate Openeye Name: tert-butyl 4-[(4-bromo-5-isoquinolyl)sulfonyl]-7-methyl-1,4-diazepane-1-carboxylate CAS Name: 4-[(4-bromo-5-isoquinolinyl)sulfonyl]-7-methyl-1,4-diazepane-1-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(4-bromoisoquinolin-5-yl)sulfonyl-7-methyl-1,4-diazepane-1-carboxylate Traditional Name: 4-[(4-bromo-5-isoquinolyl)sulfonyl]-7-methyl-1,4-diazepane-1-carboxylic acid tert-butyl ester Formula: C20H26BrN3O4S MolecularWeight: 484.40714

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CCN1C(=O)OC(C)(C)C)S(=O)(=O)C2=CC=CC3=CN=CC(=C32)Br

Isomeric SMILES

CC1CCN(CCN1C(=O)OC(C)(C)C)S(=O)(=O)C2=CC=CC3=CN=CC(=C32)Br

InChI

InChI=1S/C20H26BrN3O4S/c1-14-8-9-23(10-11-24(14)19(25)28-20(2,3)4)29(26,27)17-7-5-6-15-12-22-13-16(21)18(15)17/h5-7,12-14H,8-11H2,1-4H3