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

Systemtic Name: N-[2-(1-azanylisoquinolin-7-yl)-5-methyl-pyrazol-3-yl]-4-(2-sulfamoylphenyl)benzamide Openeye Name: N-[2-(1-amino-7-isoquinolyl)-5-methyl-pyrazol-3-yl]-4-(2-sulfamoylphenyl)benzamide CAS Name: N-[2-(1-amino-7-isoquinolinyl)-5-methyl-3-pyrazolyl]-4-(2-sulfamoylphenyl)benzamide IUPAC Name: N-[2-(1-aminoisoquinolin-7-yl)-5-methylpyrazol-3-yl]-4-(2-sulfamoylphenyl)benzamide Traditional Name: N-[2-(1-amino-7-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=CC5=C(C=C4)C=CN=C5N

Isomeric SMILES

CC1=NN(C(=C1)NC(=O)C2=CC=C(C=C2)C3=CC=CC=C3S(=O)(=O)N)C4=CC5=C(C=C4)C=CN=C5N

InChI

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