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

Systemtic Name: 2-[[4-(3-acetamido-1-bromanyl-isoquinolin-4-yl)phenyl]-(2-hydroxyethyl)amino]ethyl methanesulfonate Openeye Name: 2-[4-(3-acetamido-1-bromo-4-isoquinolyl)-N-(2-hydroxyethyl)anilino]ethyl methanesulfonate CAS Name: methanesulfonic acid 2-[4-(3-acetamido-1-bromo-4-isoquinolinyl)-N-(2-hydroxyethyl)anilino]ethyl ester IUPAC Name: 2-[4-(3-acetamido-1-bromoisoquinolin-4-yl)-N-(2-hydroxyethyl)anilino]ethyl methanesulfonate Traditional Name: methanesulfonic acid 2-[4-(3-acetamido-1-bromo-4-isoquinolyl)-N-(2-hydroxyethyl)anilino]ethyl ester Formula: C22H24BrN3O5S MolecularWeight: 522.41206

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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(CCO)CCOS(=O)(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C22H24BrN3O5S/c1-15(28)24-22-20(18-5-3-4-6-19(18)21(23)25-22)16-7-9-17(10-8-16)26(11-13-27)12-14-31-32(2,29)30/h3-10,27H,11-14H2,1-2H3,(H,24,25,28)