2-[[[5-[4-[(Dimethylamino)sulfonyl]phenyl]-1,2,6,7,8,9-hexahydro-8-methyl-2-oxo-3H-pyrrolo[3,2-h]isoquinolin-3-ylidene]amino]oxy]-4-hydroxybutanoic acid

CAS Registry Number®

245063-59-6
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CAS Name

2-[[[5-[4-[(Dimethylamino)sulfonyl]phenyl]-1,2,6,7,8,9-hexahydro-8-methyl-2-oxo-3H-pyrrolo[3,2-h]isoquinolin-3-ylidene]amino]oxy]-4-hydroxybutanoic acid

Molecular Formula

C24H28N4O7S

Molecular Mass

516.57

Cite this Page

2-[[[5-[4-[(Dimethylamino)sulfonyl]phenyl]-1,2,6,7,8,9-hexahydro-8-methyl-2-oxo-3H-pyrrolo[3,2-h]isoquinolin-3-ylidene]amino]oxy]-4-hydroxybutanoic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=254751-28-5 (retrieved 2024-05-04) (CAS RN: 245063-59-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C24H28N4O7S/c1-27(2)36(33,34)15-6-4-14(5-7-15)17-12-18-21(19-13-28(3)10-8-16(17)19)25-23(30)22(18)26-35-20(9-11-29)24(31)32/h4-7,12,20,29H,8-11,13H2,1-3H3,(H,31,32)(H,25,26,30)

InChIKey

InChIKey=CFJRSKULEDUDKL-UHFFFAOYSA-N

SMILES

N(OC(CCO)C(O)=O)=C1C2=C(C3=C(C(=C2)C4=CC=C(S(N(C)C)(=O)=O)C=C4)CCN(C)C3)NC1=O

Canonical SMILES

O=C(O)C(ON=C1C(=O)NC=2C1=CC(C3=CC=C(C=C3)S(=O)(=O)N(C)C)=C4C2CN(C)CC4)CCO

Other Names for this Substance

  • Butanoic acid, 2-[[[5-[4-[(dimethylamino)sulfonyl]phenyl]-1,2,6,7,8,9-hexahydro-8-methyl-2-oxo-3H-pyrrolo[3,2-h]isoquinolin-3-ylidene]amino]oxy]-4-hydroxy-
  • 2-[[[5-[4-[(Dimethylamino)sulfonyl]phenyl]-1,2,6,7,8,9-hexahydro-8-methyl-2-oxo-3H-pyrrolo[3,2-h]isoquinolin-3-ylidene]amino]oxy]-4-hydroxybutanoic acid
  • NS 1209
  • (RS)-NS 1209

Deleted or Replaced CAS Registry Numbers

254751-28-5

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