N-[3-[2-[2-(isoquinolin-5-ylsulfonylamino)ethylamino]ethoxymethyl]phenyl]ethanamide

Systemtic Name: N-[3-[2-[2-(isoquinolin-5-ylsulfonylamino)ethylamino]ethoxymethyl]phenyl]ethanamide Openeye Name: N-[3-[2-[2-(5-isoquinolylsulfonylamino)ethylamino]ethoxymethyl]phenyl]acetamide CAS Name: N-[3-[2-[2-(5-isoquinolinylsulfonylamino)ethylamino]ethoxymethyl]phenyl]acetamide IUPAC Name: N-[3-[2-[2-(isoquinolin-5-ylsulfonylamino)ethylamino]ethoxymethyl]phenyl]acetamide Traditional Name: N-[3-[2-[2-(5-isoquinolylsulfonylamino)ethylamino]ethoxymethyl]phenyl]acetamide Formula: C22H26N4O4S MolecularWeight: 442.53124

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=CC(=C1)COCCNCCNS(=O)(=O)C2=CC=CC3=C2C=CN=C3

Isomeric SMILES

CC(=O)NC1=CC=CC(=C1)COCCNCCNS(=O)(=O)C2=CC=CC3=C2C=CN=C3

InChI

InChI=1S/C22H26N4O4S/c1-17(27)26-20-6-2-4-18(14-20)16-30-13-12-23-10-11-25-31(28,29)22-7-3-5-19-15-24-9-8-21(19)22/h2-9,14-15,23,25H,10-13,16H2,1H3,(H,26,27)