tert-butyl N-[2-[(1-azanylisoquinolin-5-yl)sulfonylamino]ethyl]carbamate

Systemtic Name: tert-butyl N-[2-[(1-azanylisoquinolin-5-yl)sulfonylamino]ethyl]carbamate Openeye Name: tert-butyl N-[2-[(1-amino-5-isoquinolyl)sulfonylamino]ethyl]carbamate CAS Name: N-[2-[(1-amino-5-isoquinolinyl)sulfonylamino]ethyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[2-[(1-aminoisoquinolin-5-yl)sulfonylamino]ethyl]carbamate Traditional Name: N-[2-[(1-amino-5-isoquinolyl)sulfonylamino]ethyl]carbamic acid tert-butyl ester Formula: C16H22N4O4S MolecularWeight: 366.43528

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCCNS(=O)(=O)C1=CC=CC2=C1C=CN=C2N

Isomeric SMILES

CC(C)(C)OC(=O)NCCNS(=O)(=O)C1=CC=CC2=C1C=CN=C2N

InChI

InChI=1S/C16H22N4O4S/c1-16(2,3)24-15(21)19-9-10-20-25(22,23)13-6-4-5-12-11(13)7-8-18-14(12)17/h4-8,20H,9-10H2,1-3H3,(H2,17,18)(H,19,21)