N-[2-(1-azanylisoquinolin-7-yl)-5-(trifluoromethyl)pyrazol-3-yl]-4-(2-methylsulfonylphenyl)benzamide

Systemtic Name: N-[2-(1-azanylisoquinolin-7-yl)-5-(trifluoromethyl)pyrazol-3-yl]-4-(2-methylsulfonylphenyl)benzamide Openeye Name: N-[2-(1-amino-7-isoquinolyl)-5-(trifluoromethyl)pyrazol-3-yl]-4-(2-methylsulfonylphenyl)benzamide CAS Name: N-[2-(1-amino-7-isoquinolinyl)-5-(trifluoromethyl)-3-pyrazolyl]-4-(2-methylsulfonylphenyl)benzamide IUPAC Name: N-[2-(1-aminoisoquinolin-7-yl)-5-(trifluoromethyl)pyrazol-3-yl]-4-(2-methylsulfonylphenyl)benzamide Traditional Name: N-[2-(1-amino-7-isoquinolyl)-5-(trifluoromethyl)pyrazol-3-yl]-4-(2-mesylphenyl)benzamide Formula: C27H20F3N5O3S MolecularWeight: 551.53961

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC=C1C2=CC=C(C=C2)C(=O)NC3=CC(=NN3C4=CC5=C(C=C4)C=CN=C5N)C(F)(F)F

Isomeric SMILES

CS(=O)(=O)C1=CC=CC=C1C2=CC=C(C=C2)C(=O)NC3=CC(=NN3C4=CC5=C(C=C4)C=CN=C5N)C(F)(F)F

InChI

InChI=1S/C27H20F3N5O3S/c1-39(37,38)22-5-3-2-4-20(22)16-6-8-18(9-7-16)26(36)33-24-15-23(27(28,29)30)34-35(24)19-11-10-17-12-13-32-25(31)21(17)14-19/h2-15H,1H3,(H2,31,32)(H,33,36)