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

Systemtic Name: tert-butyl 4-[2-(isoquinolin-5-ylsulfonylamino)-3-(4-isoquinolin-5-ylsulfonyloxyphenyl)propyl]piperazine-1-carboxylate Openeye Name: tert-butyl 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 tert-butyl ester IUPAC Name: tert-butyl 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 tert-butyl ester Formula: C36H39N5O7S2 MolecularWeight: 717.85416

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)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

CC(C)(C)OC(=O)N1CCN(CC1)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/C36H39N5O7S2/c1-36(2,3)47-35(42)41-20-18-40(19-21-41)25-29(39-49(43,44)33-8-4-6-27-23-37-16-14-31(27)33)22-26-10-12-30(13-11-26)48-50(45,46)34-9-5-7-28-24-38-17-15-32(28)34/h4-17,23-24,29,39H,18-22,25H2,1-3H3