N-[2-(1-azanylisoquinolin-8-yl)-5-methyl-pyrazol-3-yl]-4-(2-sulfamoylphenyl)benzamide

Systemtic Name: N-[2-(1-azanylisoquinolin-8-yl)-5-methyl-pyrazol-3-yl]-4-(2-sulfamoylphenyl)benzamide Openeye Name: N-[2-(1-amino-8-isoquinolyl)-5-methyl-pyrazol-3-yl]-4-(2-sulfamoylphenyl)benzamide CAS Name: N-[2-(1-amino-8-isoquinolinyl)-5-methyl-3-pyrazolyl]-4-(2-sulfamoylphenyl)benzamide IUPAC Name: N-[2-(1-aminoisoquinolin-8-yl)-5-methylpyrazol-3-yl]-4-(2-sulfamoylphenyl)benzamide Traditional Name: N-[2-(1-amino-8-isoquinolyl)-5-methyl-pyrazol-3-yl]-4-(2-sulfamoylphenyl)benzamide Formula: C26H22N6O3S MolecularWeight: 498.55628

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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)N

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)N

InChI

InChI=1S/C26H22N6O3S/c1-16-15-23(32(31-16)21-7-4-5-18-13-14-29-25(27)24(18)21)30-26(33)19-11-9-17(10-12-19)20-6-2-3-8-22(20)36(28,34)35/h2-15H,1H3,(H2,27,29)(H,30,33)(H2,28,34,35)