3-(4-azanylisoquinolin-7-yl)-N-[4-(2-sulfamoylphenyl)phenyl]-1,2,3-triazole-4-carboxamide

Systemtic Name: 3-(4-azanylisoquinolin-7-yl)-N-[4-(2-sulfamoylphenyl)phenyl]-1,2,3-triazole-4-carboxamide Openeye Name: 3-(4-amino-7-isoquinolyl)-N-[4-(2-sulfamoylphenyl)phenyl]triazole-4-carboxamide CAS Name: 3-(4-amino-7-isoquinolinyl)-N-[4-(2-sulfamoylphenyl)phenyl]-4-triazolecarboxamide IUPAC Name: 3-(4-aminoisoquinolin-7-yl)-N-[4-(2-sulfamoylphenyl)phenyl]triazole-4-carboxamide Traditional Name: 3-(4-amino-7-isoquinolyl)-N-[4-(2-sulfamoylphenyl)phenyl]triazole-4-carboxamide Formula: C24H19N7O3S MolecularWeight: 485.51776

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C2=CC=C(C=C2)NC(=O)C3=CN=NN3C4=CC5=CN=CC(=C5C=C4)N)S(=O)(=O)N

Isomeric SMILES

C1=CC=C(C(=C1)C2=CC=C(C=C2)NC(=O)C3=CN=NN3C4=CC5=CN=CC(=C5C=C4)N)S(=O)(=O)N

InChI

InChI=1S/C24H19N7O3S/c25-21-13-27-12-16-11-18(9-10-19(16)21)31-22(14-28-30-31)24(32)29-17-7-5-15(6-8-17)20-3-1-2-4-23(20)35(26,33)34/h1-14H,25H2,(H,29,32)(H2,26,33,34)