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

Systemtic Name: 4-[3-(4-hydroxyphenyl)-2-(isoquinolin-5-ylsulfonylamino)propyl]-N-(phenylmethyl)piperazine-1-carboxamide Openeye Name: N-benzyl-4-[3-(4-hydroxyphenyl)-2-(5-isoquinolylsulfonylamino)propyl]piperazine-1-carboxamide CAS Name: 4-[3-(4-hydroxyphenyl)-2-(5-isoquinolinylsulfonylamino)propyl]-N-(phenylmethyl)-1-piperazinecarboxamide IUPAC Name: N-benzyl-4-[3-(4-hydroxyphenyl)-2-(isoquinolin-5-ylsulfonylamino)propyl]piperazine-1-carboxamide Traditional Name: N-benzyl-4-[3-(4-hydroxyphenyl)-2-(5-isoquinolylsulfonylamino)propyl]piperazine-1-carboxamide Formula: C30H33N5O4S MolecularWeight: 559.67912

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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)NCC5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1CC(CC2=CC=C(C=C2)O)NS(=O)(=O)C3=CC=CC4=C3C=CN=C4)C(=O)NCC5=CC=CC=C5

InChI

InChI=1S/C30H33N5O4S/c36-27-11-9-23(10-12-27)19-26(33-40(38,39)29-8-4-7-25-21-31-14-13-28(25)29)22-34-15-17-35(18-16-34)30(37)32-20-24-5-2-1-3-6-24/h1-14,21,26,33,36H,15-20,22H2,(H,32,37)