N-[2-(1-azanylisoquinolin-7-yl)-5-methyl-pyrazol-3-yl]-2-fluoranyl-6-(2-sulfamoylphenyl)benzamide

Systemtic Name: N-[2-(1-azanylisoquinolin-7-yl)-5-methyl-pyrazol-3-yl]-2-fluoranyl-6-(2-sulfamoylphenyl)benzamide Openeye Name: N-[2-(1-amino-7-isoquinolyl)-5-methyl-pyrazol-3-yl]-2-fluoro-6-(2-sulfamoylphenyl)benzamide CAS Name: N-[2-(1-amino-7-isoquinolinyl)-5-methyl-3-pyrazolyl]-2-fluoro-6-(2-sulfamoylphenyl)benzamide IUPAC Name: N-[2-(1-aminoisoquinolin-7-yl)-5-methylpyrazol-3-yl]-2-fluoro-6-(2-sulfamoylphenyl)benzamide Traditional Name: N-[2-(1-amino-7-isoquinolyl)-5-methyl-pyrazol-3-yl]-2-fluoro-6-(2-sulfamoylphenyl)benzamide Formula: C26H21FN6O3S MolecularWeight: 516.546743

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1)NC(=O)C2=C(C=CC=C2F)C3=CC=CC=C3S(=O)(=O)N)C4=CC5=C(C=C4)C=CN=C5N

Isomeric SMILES

CC1=NN(C(=C1)NC(=O)C2=C(C=CC=C2F)C3=CC=CC=C3S(=O)(=O)N)C4=CC5=C(C=C4)C=CN=C5N

InChI

InChI=1S/C26H21FN6O3S/c1-15-13-23(33(32-15)17-10-9-16-11-12-30-25(28)20(16)14-17)31-26(34)24-19(6-4-7-21(24)27)18-5-2-3-8-22(18)37(29,35)36/h2-14H,1H3,(H2,28,30)(H,31,34)(H2,29,35,36)