(Z)-3-(1-azanylisoquinolin-7-yl)-N-(2-bromanyl-4-morpholin-4-ylsulfonyl-phenyl)-2-fluoranyl-but-2-enamide

Systemtic Name: (Z)-3-(1-azanylisoquinolin-7-yl)-N-(2-bromanyl-4-morpholin-4-ylsulfonyl-phenyl)-2-fluoranyl-but-2-enamide Openeye Name: (Z)-3-(1-amino-7-isoquinolyl)-N-(2-bromo-4-morpholinosulfonyl-phenyl)-2-fluoro-but-2-enamide CAS Name: (Z)-3-(1-amino-7-isoquinolinyl)-N-[2-bromo-4-(4-morpholinylsulfonyl)phenyl]-2-fluoro-2-butenamide IUPAC Name: (Z)-3-(1-aminoisoquinolin-7-yl)-N-(2-bromo-4-morpholin-4-ylsulfonylphenyl)-2-fluorobut-2-enamide Traditional Name: (Z)-3-(1-amino-7-isoquinolyl)-N-(2-bromo-4-morpholinosulfonyl-phenyl)-2-fluoro-but-2-enamide Formula: C23H22BrFN4O4S MolecularWeight: 549.412583

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C(C(=O)NC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)Br)F)C3=CC4=C(C=C3)C=CN=C4N

Isomeric SMILES

C/C(=C(\C(=O)NC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)Br)/F)/C3=CC4=C(C=C3)C=CN=C4N

InChI

InChI=1S/C23H22BrFN4O4S/c1-14(16-3-2-15-6-7-27-22(26)18(15)12-16)21(25)23(30)28-20-5-4-17(13-19(20)24)34(31,32)29-8-10-33-11-9-29/h2-7,12-13H,8-11H2,1H3,(H2,26,27)(H,28,30)/b21-14-