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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1O)C(CCNS(=O)(=O)C2=CC=CC3=C2C=CN=C3)(C4=CC=CC=C4)OS(=O)(=O)C5=CC=CC6=C5C=CN=C6

Isomeric SMILES

C1CN(CCC1O)C(CCNS(=O)(=O)C2=CC=CC3=C2C=CN=C3)(C4=CC=CC=C4)OS(=O)(=O)C5=CC=CC6=C5C=CN=C6

InChI

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