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

Systemtic Name: tert-butyl N-[2-(1-azanylisoquinolin-5-yl)sulfonyl-2-[2-(phenylsulfonyl)ethylamino]ethyl]carbamate Openeye Name: tert-butyl N-[2-[(1-amino-5-isoquinolyl)sulfonyl]-2-[2-(benzenesulfonyl)ethylamino]ethyl]carbamate CAS Name: N-[2-[(1-amino-5-isoquinolinyl)sulfonyl]-2-[2-(benzenesulfonyl)ethylamino]ethyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[2-(1-aminoisoquinolin-5-yl)sulfonyl-2-[2-(benzenesulfonyl)ethylamino]ethyl]carbamate Traditional Name: N-[2-[(1-amino-5-isoquinolyl)sulfonyl]-2-(2-besylethylamino)ethyl]carbamic acid tert-butyl ester Formula: C24H30N4O6S2 MolecularWeight: 534.6482

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCC(NCCS(=O)(=O)C1=CC=CC=C1)S(=O)(=O)C2=CC=CC3=C2C=CN=C3N

Isomeric SMILES

CC(C)(C)OC(=O)NCC(NCCS(=O)(=O)C1=CC=CC=C1)S(=O)(=O)C2=CC=CC3=C2C=CN=C3N

InChI

InChI=1S/C24H30N4O6S2/c1-24(2,3)34-23(29)28-16-21(26-14-15-35(30,31)17-8-5-4-6-9-17)36(32,33)20-11-7-10-19-18(20)12-13-27-22(19)25/h4-13,21,26H,14-16H2,1-3H3,(H2,25,27)(H,28,29)