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

Systemtic Name: N-[3-(1-azanylisoquinolin-7-yl)-5-methyl-4H-1,2-oxazol-5-yl]-4-(2-sulfamoylphenyl)benzamide Openeye Name: N-[3-(1-amino-7-isoquinolyl)-5-methyl-4H-isoxazol-5-yl]-4-(2-sulfamoylphenyl)benzamide CAS Name: N-[3-(1-amino-7-isoquinolinyl)-5-methyl-4H-isoxazol-5-yl]-4-(2-sulfamoylphenyl)benzamide IUPAC Name: N-[3-(1-aminoisoquinolin-7-yl)-5-methyl-4H-1,2-oxazol-5-yl]-4-(2-sulfamoylphenyl)benzamide Traditional Name: N-[3-(1-amino-7-isoquinolyl)-5-methyl-2-isoxazolin-5-yl]-4-(2-sulfamoylphenyl)benzamide Formula: C26H23N5O4S MolecularWeight: 501.55692

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=NO1)C2=CC3=C(C=C2)C=CN=C3N)NC(=O)C4=CC=C(C=C4)C5=CC=CC=C5S(=O)(=O)N

Isomeric SMILES

CC1(CC(=NO1)C2=CC3=C(C=C2)C=CN=C3N)NC(=O)C4=CC=C(C=C4)C5=CC=CC=C5S(=O)(=O)N

InChI

InChI=1S/C26H23N5O4S/c1-26(15-22(31-35-26)19-11-8-17-12-13-29-24(27)21(17)14-19)30-25(32)18-9-6-16(7-10-18)20-4-2-3-5-23(20)36(28,33)34/h2-14H,15H2,1H3,(H2,27,29)(H,30,32)(H2,28,33,34)