N-(2-isoquinolin-8-yl-5-methyl-pyrazol-3-yl)-4-(2-sulfamoylphenyl)benzamide

Systemtic Name: N-(2-isoquinolin-8-yl-5-methyl-pyrazol-3-yl)-4-(2-sulfamoylphenyl)benzamide Openeye Name: N-[2-(8-isoquinolyl)-5-methyl-pyrazol-3-yl]-4-(2-sulfamoylphenyl)benzamide CAS Name: N-[2-(8-isoquinolinyl)-5-methyl-3-pyrazolyl]-4-(2-sulfamoylphenyl)benzamide IUPAC Name: N-(2-isoquinolin-8-yl-5-methylpyrazol-3-yl)-4-(2-sulfamoylphenyl)benzamide Traditional Name: N-[2-(8-isoquinolyl)-5-methyl-pyrazol-3-yl]-4-(2-sulfamoylphenyl)benzamide Formula: C26H21N5O3S MolecularWeight: 483.54164

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1)NC(=O)C2=CC=C(C=C2)C3=CC=CC=C3S(=O)(=O)N)C4=CC=CC5=C4C=NC=C5

Isomeric SMILES

CC1=NN(C(=C1)NC(=O)C2=CC=C(C=C2)C3=CC=CC=C3S(=O)(=O)N)C4=CC=CC5=C4C=NC=C5

InChI

InChI=1S/C26H21N5O3S/c1-17-15-25(31(30-17)23-7-4-5-18-13-14-28-16-22(18)23)29-26(32)20-11-9-19(10-12-20)21-6-2-3-8-24(21)35(27,33)34/h2-16H,1H3,(H,29,32)(H2,27,33,34)