tert-butyl N-[3-[(1-chloranylisoquinolin-5-yl)sulfonylamino]propyl]carbamate

Systemtic Name: tert-butyl N-[3-[(1-chloranylisoquinolin-5-yl)sulfonylamino]propyl]carbamate Openeye Name: tert-butyl N-[3-[(1-chloro-5-isoquinolyl)sulfonylamino]propyl]carbamate CAS Name: N-[3-[(1-chloro-5-isoquinolinyl)sulfonylamino]propyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[3-[(1-chloroisoquinolin-5-yl)sulfonylamino]propyl]carbamate Traditional Name: N-[3-[(1-chloro-5-isoquinolyl)sulfonylamino]propyl]carbamic acid tert-butyl ester Formula: C17H22ClN3O4S MolecularWeight: 399.89228

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCCCNS(=O)(=O)C1=CC=CC2=C1C=CN=C2Cl

Isomeric SMILES

CC(C)(C)OC(=O)NCCCNS(=O)(=O)C1=CC=CC2=C1C=CN=C2Cl

InChI

InChI=1S/C17H22ClN3O4S/c1-17(2,3)25-16(22)20-9-5-10-21-26(23,24)14-7-4-6-13-12(14)8-11-19-15(13)18/h4,6-8,11,21H,5,9-10H2,1-3H3,(H,20,22)