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

Systemtic Name: N-[2-(1-azanylisoquinolin-7-yl)oxy-1-phenyl-ethyl]-4-(2-sulfamoylphenyl)benzamide Openeye Name: N-[2-[(1-amino-7-isoquinolyl)oxy]-1-phenyl-ethyl]-4-(2-sulfamoylphenyl)benzamide CAS Name: N-[2-[(1-amino-7-isoquinolinyl)oxy]-1-phenylethyl]-4-(2-sulfamoylphenyl)benzamide IUPAC Name: N-[2-(1-aminoisoquinolin-7-yl)oxy-1-phenylethyl]-4-(2-sulfamoylphenyl)benzamide Traditional Name: N-[2-[(1-amino-7-isoquinolyl)oxy]-1-phenyl-ethyl]-4-(2-sulfamoylphenyl)benzamide Formula: C30H26N4O4S MolecularWeight: 538.61684

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(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)C(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/C30H26N4O4S/c31-29-26-18-24(15-14-21(26)16-17-33-29)38-19-27(22-6-2-1-3-7-22)34-30(35)23-12-10-20(11-13-23)25-8-4-5-9-28(25)39(32,36)37/h1-18,27H,19H2,(H2,31,33)(H,34,35)(H2,32,36,37)