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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCC(N)S(=O)(=O)C1=CC=CC2=C1C=CN=C2N

Isomeric SMILES

CC(C)(C)OC(=O)NCC(N)S(=O)(=O)C1=CC=CC2=C1C=CN=C2N

InChI

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