4-[(2S)-2-[(5-Isoquinolinylsulfonyl)methylamino]-3-oxo-3-(4-phenyl-1-piperazinyl)propyl]phenyl 5-isoquinolinesulfonate

CAS Registry Number®

127191-97-3
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CAS Name

4-[(2S)-2-[(5-Isoquinolinylsulfonyl)methylamino]-3-oxo-3-(4-phenyl-1-piperazinyl)propyl]phenyl 5-isoquinolinesulfonate

Molecular Formula

C38H35N5O6S2

Molecular Mass

721.84

Cite this Page

4-[(2S)-2-[(5-Isoquinolinylsulfonyl)methylamino]-3-oxo-3-(4-phenyl-1-piperazinyl)propyl]phenyl 5-isoquinolinesulfonate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=127191-97-3 (retrieved 2024-04-24) (CAS RN: 127191-97-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C38H35N5O6S2/c1-41(50(45,46)36-11-5-7-29-26-39-19-17-33(29)36)35(38(44)43-23-21-42(22-24-43)31-9-3-2-4-10-31)25-28-13-15-32(16-14-28)49-51(47,48)37-12-6-8-30-27-40-20-18-34(30)37/h2-20,26-27,35H,21-25H2,1H3/t35-/m0/s1

InChIKey

InChIKey=RJVLFQBBRSMWHX-DHUJRADRSA-N

SMILES

S(N([C@H](C(=O)N1CCN(CC1)C2=CC=CC=C2)CC3=CC=C(OS(=O)(=O)C=4C5=C(C=CC4)C=NC=C5)C=C3)C)(=O)(=O)C=6C7=C(C=CC6)C=NC=C7

Canonical SMILES

O=C(N1CCN(C=2C=CC=CC2)CC1)C(N(C)S(=O)(=O)C3=CC=CC=4C=NC=CC43)CC5=CC=C(OS(=O)(=O)C6=CC=CC=7C=NC=CC76)C=C5

Other Names for this Substance

  • 5-Isoquinolinesulfonic acid, 4-[(2S)-2-[(5-isoquinolinylsulfonyl)methylamino]-3-oxo-3-(4-phenyl-1-piperazinyl)propyl]phenyl ester
  • 5-Isoquinolinesulfonic acid, 4-[2-[(5-isoquinolinylsulfonyl)methylamino]-3-oxo-3-(4-phenyl-1-piperazinyl)propyl]phenyl ester, (S)-
  • 4-[(2S)-2-[(5-Isoquinolinylsulfonyl)methylamino]-3-oxo-3-(4-phenyl-1-piperazinyl)propyl]phenyl 5-isoquinolinesulfonate
  • KN 62
  • [4-[(2S)-2-[Isoquinolin-5-ylsulfonyl(methyl)amino]-3-oxo-3-(4-phenylpiperazin-1-yl)propyl]phenyl] isoquinoline-5-sulfonate

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