(phenylmethyl) 4-[2-(isoquinolin-5-ylsulfonylamino)-3-(4-isoquinolin-5-ylsulfonyloxyphenyl)propyl]piperazine-1-carboxylate

Systemtic Name: (phenylmethyl) 4-[2-(isoquinolin-5-ylsulfonylamino)-3-(4-isoquinolin-5-ylsulfonyloxyphenyl)propyl]piperazine-1-carboxylate Openeye Name: benzyl 4-[2-(5-isoquinolylsulfonylamino)-3-[4-(5-isoquinolylsulfonyloxy)phenyl]propyl]piperazine-1-carboxylate CAS Name: 4-[2-(5-isoquinolinylsulfonylamino)-3-[4-(5-isoquinolinylsulfonyloxy)phenyl]propyl]-1-piperazinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-[2-(isoquinolin-5-ylsulfonylamino)-3-(4-isoquinolin-5-ylsulfonyloxyphenyl)propyl]piperazine-1-carboxylate Traditional Name: 4-[2-(5-isoquinolylsulfonylamino)-3-[4-(5-isoquinolylsulfonyloxy)phenyl]propyl]piperazine-1-carboxylic acid benzyl ester Formula: C39H37N5O7S2 MolecularWeight: 751.87038

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC(CC2=CC=C(C=C2)OS(=O)(=O)C3=CC=CC4=C3C=CN=C4)NS(=O)(=O)C5=CC=CC6=C5C=CN=C6)C(=O)OCC7=CC=CC=C7

Isomeric SMILES

C1CN(CCN1CC(CC2=CC=C(C=C2)OS(=O)(=O)C3=CC=CC4=C3C=CN=C4)NS(=O)(=O)C5=CC=CC6=C5C=CN=C6)C(=O)OCC7=CC=CC=C7

InChI

InChI=1S/C39H37N5O7S2/c45-39(50-28-30-6-2-1-3-7-30)44-22-20-43(21-23-44)27-33(42-52(46,47)37-10-4-8-31-25-40-18-16-35(31)37)24-29-12-14-34(15-13-29)51-53(48,49)38-11-5-9-32-26-41-19-17-36(32)38/h1-19,25-26,33,42H,20-24,27-28H2