[4-[2-(isoquinolin-5-ylsulfonylamino)-3-(4-oxidanylpiperidin-1-yl)propyl]phenyl] isoquinoline-5-sulfonate

Systemtic Name: [4-[2-(isoquinolin-5-ylsulfonylamino)-3-(4-oxidanylpiperidin-1-yl)propyl]phenyl] isoquinoline-5-sulfonate Openeye Name: [4-[3-(4-hydroxy-1-piperidyl)-2-(5-isoquinolylsulfonylamino)propyl]phenyl] isoquinoline-5-sulfonate CAS Name: 5-isoquinolinesulfonic acid [4-[3-(4-hydroxy-1-piperidinyl)-2-(5-isoquinolinylsulfonylamino)propyl]phenyl] ester IUPAC Name: [4-[3-(4-hydroxypiperidin-1-yl)-2-(isoquinolin-5-ylsulfonylamino)propyl]phenyl] isoquinoline-5-sulfonate Traditional Name: isoquinoline-5-sulfonic acid [4-[3-(4-hydroxypiperidino)-2-(5-isoquinolylsulfonylamino)propyl]phenyl] ester Formula: C32H32N4O6S2 MolecularWeight: 632.74968

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1O)CC(CC2=CC=C(C=C2)OS(=O)(=O)C3=CC=CC4=C3C=CN=C4)NS(=O)(=O)C5=CC=CC6=C5C=CN=C6

Isomeric SMILES

C1CN(CCC1O)CC(CC2=CC=C(C=C2)OS(=O)(=O)C3=CC=CC4=C3C=CN=C4)NS(=O)(=O)C5=CC=CC6=C5C=CN=C6

InChI

InChI=1S/C32H32N4O6S2/c37-27-13-17-36(18-14-27)22-26(35-43(38,39)31-5-1-3-24-20-33-15-11-29(24)31)19-23-7-9-28(10-8-23)42-44(40,41)32-6-2-4-25-21-34-16-12-30(25)32/h1-12,15-16,20-21,26-27,35,37H,13-14,17-19,22H2