tert-butyl N-[3-[(4-bromanylisoquinolin-5-yl)sulfonylamino]propyl]carbamate

Systemtic Name: tert-butyl N-[3-[(4-bromanylisoquinolin-5-yl)sulfonylamino]propyl]carbamate Openeye Name: tert-butyl N-[3-[(4-bromo-5-isoquinolyl)sulfonylamino]propyl]carbamate CAS Name: N-[3-[(4-bromo-5-isoquinolinyl)sulfonylamino]propyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[3-[(4-bromoisoquinolin-5-yl)sulfonylamino]propyl]carbamate Traditional Name: N-[3-[(4-bromo-5-isoquinolyl)sulfonylamino]propyl]carbamic acid tert-butyl ester Formula: C17H22BrN3O4S MolecularWeight: 444.34328

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCCCNS(=O)(=O)C1=CC=CC2=CN=CC(=C21)Br

Isomeric SMILES

CC(C)(C)OC(=O)NCCCNS(=O)(=O)C1=CC=CC2=CN=CC(=C21)Br

InChI

InChI=1S/C17H22BrN3O4S/c1-17(2,3)25-16(22)20-8-5-9-21-26(23,24)14-7-4-6-12-10-19-11-13(18)15(12)14/h4,6-7,10-11,21H,5,8-9H2,1-3H3,(H,20,22)