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

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

Systemtic Name:N-[2-(1-azanylisoquinolin-7-yl)-5-(trifluoromethyl)pyrazol-3-yl]-2-(2-methylsulfonylphenyl)benzamide
Openeye Name:N-[2-(1-amino-7-isoquinolyl)-5-(trifluoromethyl)pyrazol-3-yl]-2-(2-methylsulfonylphenyl)benzamide
CAS Name:N-[2-(1-amino-7-isoquinolinyl)-5-(trifluoromethyl)-3-pyrazolyl]-2-(2-methylsulfonylphenyl)benzamide
IUPAC Name:N-[2-(1-aminoisoquinolin-7-yl)-5-(trifluoromethyl)pyrazol-3-yl]-2-(2-methylsulfonylphenyl)benzamide
Traditional Name:N-[2-(1-amino-7-isoquinolyl)-5-(trifluoromethyl)pyrazol-3-yl]-2-(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=CC=C2C(=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=CC=C2C(=O)NC3=CC(=NN3C4=CC5=C(C=C4)C=CN=C5N)C(F)(F)F


InChI

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


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