N-(4-bromanyl-2-methyl-phenyl)-2-[4-[4-(2-fluorophenyl)piperazin-1-yl]sulfonyl-1-oxidanylidene-isoquinolin-2-yl]ethanamide

Systemtic Name: N-(4-bromanyl-2-methyl-phenyl)-2-[4-[4-(2-fluorophenyl)piperazin-1-yl]sulfonyl-1-oxidanylidene-isoquinolin-2-yl]ethanamide Openeye Name: N-(4-bromo-2-methyl-phenyl)-2-[4-[4-(2-fluorophenyl)piperazin-1-yl]sulfonyl-1-oxo-2-isoquinolyl]acetamide CAS Name: N-(4-bromo-2-methylphenyl)-2-[4-[[4-(2-fluorophenyl)-1-piperazinyl]sulfonyl]-1-oxo-2-isoquinolinyl]acetamide IUPAC Name: N-(4-bromo-2-methylphenyl)-2-[4-[4-(2-fluorophenyl)piperazin-1-yl]sulfonyl-1-oxoisoquinolin-2-yl]acetamide Traditional Name: N-(4-bromo-2-methyl-phenyl)-2-[4-[4-(2-fluorophenyl)piperazino]sulfonyl-1-keto-2-isoquinolyl]acetamide Formula: C28H26BrFN4O4S MolecularWeight: 613.497843

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)NC(=O)CN2C=C(C3=CC=CC=C3C2=O)S(=O)(=O)N4CCN(CC4)C5=CC=CC=C5F

Isomeric SMILES

CC1=C(C=CC(=C1)Br)NC(=O)CN2C=C(C3=CC=CC=C3C2=O)S(=O)(=O)N4CCN(CC4)C5=CC=CC=C5F

InChI

InChI=1S/C28H26BrFN4O4S/c1-19-16-20(29)10-11-24(19)31-27(35)18-33-17-26(21-6-2-3-7-22(21)28(33)36)39(37,38)34-14-12-32(13-15-34)25-9-5-4-8-23(25)30/h2-11,16-17H,12-15,18H2,1H3,(H,31,35)