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

Systemtic Name: N-[2-(1-azanylisoquinolin-7-yl)-5-(trifluoromethyl)pyrazol-3-yl]-2-methyl-6-(2-sulfamoylphenyl)benzamide Openeye Name: N-[2-(1-amino-7-isoquinolyl)-5-(trifluoromethyl)pyrazol-3-yl]-2-methyl-6-(2-sulfamoylphenyl)benzamide CAS Name: N-[2-(1-amino-7-isoquinolinyl)-5-(trifluoromethyl)-3-pyrazolyl]-2-methyl-6-(2-sulfamoylphenyl)benzamide IUPAC Name: N-[2-(1-aminoisoquinolin-7-yl)-5-(trifluoromethyl)pyrazol-3-yl]-2-methyl-6-(2-sulfamoylphenyl)benzamide Traditional Name: N-[2-(1-amino-7-isoquinolyl)-5-(trifluoromethyl)pyrazol-3-yl]-2-methyl-6-(2-sulfamoylphenyl)benzamide Formula: C27H21F3N6O3S MolecularWeight: 566.55425

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1C(=O)NC2=CC(=NN2C3=CC4=C(C=C3)C=CN=C4N)C(F)(F)F)C5=CC=CC=C5S(=O)(=O)N

Isomeric SMILES

CC1=CC=CC(=C1C(=O)NC2=CC(=NN2C3=CC4=C(C=C3)C=CN=C4N)C(F)(F)F)C5=CC=CC=C5S(=O)(=O)N

InChI

InChI=1S/C27H21F3N6O3S/c1-15-5-4-7-19(18-6-2-3-8-21(18)40(32,38)39)24(15)26(37)34-23-14-22(27(28,29)30)35-36(23)17-10-9-16-11-12-33-25(31)20(16)13-17/h2-14H,1H3,(H2,31,33)(H,34,37)(H2,32,38,39)