2-[[4-(3-acetamido-1-bromanyl-isoquinolin-4-yl)phenyl]-(2-methylsulfonyloxyethyl)amino]ethyl methanesulfonate

Systemtic Name: 2-[[4-(3-acetamido-1-bromanyl-isoquinolin-4-yl)phenyl]-(2-methylsulfonyloxyethyl)amino]ethyl methanesulfonate Openeye Name: 2-[4-(3-acetamido-1-bromo-4-isoquinolyl)-N-(2-methylsulfonyloxyethyl)anilino]ethyl methanesulfonate CAS Name: methanesulfonic acid 2-[4-(3-acetamido-1-bromo-4-isoquinolinyl)-N-(2-methylsulfonyloxyethyl)anilino]ethyl ester IUPAC Name: 2-[4-(3-acetamido-1-bromoisoquinolin-4-yl)-N-(2-methylsulfonyloxyethyl)anilino]ethyl methanesulfonate Traditional Name: methanesulfonic acid 2-[4-(3-acetamido-1-bromo-4-isoquinolyl)-N-(2-methylsulfonyloxyethyl)anilino]ethyl ester Formula: C23H26BrN3O7S2 MolecularWeight: 600.50244

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C2=CC=CC=C2C(=N1)Br)C3=CC=C(C=C3)N(CCOS(=O)(=O)C)CCOS(=O)(=O)C

Isomeric SMILES

CC(=O)NC1=C(C2=CC=CC=C2C(=N1)Br)C3=CC=C(C=C3)N(CCOS(=O)(=O)C)CCOS(=O)(=O)C

InChI

InChI=1S/C23H26BrN3O7S2/c1-16(28)25-23-21(19-6-4-5-7-20(19)22(24)26-23)17-8-10-18(11-9-17)27(12-14-33-35(2,29)30)13-15-34-36(3,31)32/h4-11H,12-15H2,1-3H3,(H,25,26,28)