4-[3-(4-hydroxyphenyl)-2-(isoquinolin-5-ylsulfonylamino)propyl]-N-phenyl-piperazine-1-carboxamide

Systemtic Name: 4-[3-(4-hydroxyphenyl)-2-(isoquinolin-5-ylsulfonylamino)propyl]-N-phenyl-piperazine-1-carboxamide Openeye Name: 4-[3-(4-hydroxyphenyl)-2-(5-isoquinolylsulfonylamino)propyl]-N-phenyl-piperazine-1-carboxamide CAS Name: 4-[3-(4-hydroxyphenyl)-2-(5-isoquinolinylsulfonylamino)propyl]-N-phenyl-1-piperazinecarboxamide IUPAC Name: 4-[3-(4-hydroxyphenyl)-2-(isoquinolin-5-ylsulfonylamino)propyl]-N-phenylpiperazine-1-carboxamide Traditional Name: 4-[3-(4-hydroxyphenyl)-2-(5-isoquinolylsulfonylamino)propyl]-N-phenyl-piperazine-1-carboxamide Formula: C29H31N5O4S MolecularWeight: 545.65254

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC(CC2=CC=C(C=C2)O)NS(=O)(=O)C3=CC=CC4=C3C=CN=C4)C(=O)NC5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1CC(CC2=CC=C(C=C2)O)NS(=O)(=O)C3=CC=CC4=C3C=CN=C4)C(=O)NC5=CC=CC=C5

InChI

InChI=1S/C29H31N5O4S/c35-26-11-9-22(10-12-26)19-25(32-39(37,38)28-8-4-5-23-20-30-14-13-27(23)28)21-33-15-17-34(18-16-33)29(36)31-24-6-2-1-3-7-24/h1-14,20,25,32,35H,15-19,21H2,(H,31,36)