N-[1-(1-azanylisoquinolin-7-yl)oxy-3-phenyl-propan-2-yl]-4-(2-sulfamoylphenyl)benzamide

Systemtic Name: N-[1-(1-azanylisoquinolin-7-yl)oxy-3-phenyl-propan-2-yl]-4-(2-sulfamoylphenyl)benzamide Openeye Name: N-[1-[(1-amino-7-isoquinolyl)oxymethyl]-2-phenyl-ethyl]-4-(2-sulfamoylphenyl)benzamide CAS Name: N-[1-[(1-amino-7-isoquinolinyl)oxy]-3-phenylpropan-2-yl]-4-(2-sulfamoylphenyl)benzamide IUPAC Name: N-[1-(1-aminoisoquinolin-7-yl)oxy-3-phenylpropan-2-yl]-4-(2-sulfamoylphenyl)benzamide Traditional Name: N-[1-[(1-amino-7-isoquinolyl)oxymethyl]-2-phenyl-ethyl]-4-(2-sulfamoylphenyl)benzamide Formula: C31H28N4O4S MolecularWeight: 552.64342

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(COC2=CC3=C(C=C2)C=CN=C3N)NC(=O)C4=CC=C(C=C4)C5=CC=CC=C5S(=O)(=O)N

Isomeric SMILES

C1=CC=C(C=C1)CC(COC2=CC3=C(C=C2)C=CN=C3N)NC(=O)C4=CC=C(C=C4)C5=CC=CC=C5S(=O)(=O)N

InChI

InChI=1S/C31H28N4O4S/c32-30-28-19-26(15-14-23(28)16-17-34-30)39-20-25(18-21-6-2-1-3-7-21)35-31(36)24-12-10-22(11-13-24)27-8-4-5-9-29(27)40(33,37)38/h1-17,19,25H,18,20H2,(H2,32,34)(H,35,36)(H2,33,37,38)