N-[4-[2,4-Bis(1,1-dimethylpropyl)phenoxy]butyl]-1-hydroxy-4-[[[3-[[[4-hydroxy-8-[2-[2-(methylsulfonyl)-4-nitrophenyl]diazenyl]-1-naphthalenyl]amino]sulfonyl]phenyl]sulfonyl]amino]-2-naphthalenecarboxamide

CAS Registry Number®

63059-54-1
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CAS Name

N-[4-[2,4-Bis(1,1-dimethylpropyl)phenoxy]butyl]-1-hydroxy-4-[[[3-[[[4-hydroxy-8-[2-[2-(methylsulfonyl)-4-nitrophenyl]diazenyl]-1-naphthalenyl]amino]sulfonyl]phenyl]sulfonyl]amino]-2-naphthalenecarboxamide

Molecular Formula

C54H58N6O12S3

Cite this Page

N-[4-[2,4-Bis(1,1-dimethylpropyl)phenoxy]butyl]-1-hydroxy-4-[[[3-[[[4-hydroxy-8-[2-[2-(methylsulfonyl)-4-nitrophenyl]diazenyl]-1-naphthalenyl]amino]sulfonyl]phenyl]sulfonyl]amino]-2-naphthalenecarboxamide.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=63059-54-1 (retrieved 2024-05-21) (CAS RN: 63059-54-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C54H58N6O12S3/c1-8-53(3,4)34-22-27-48(42(30-34)54(5,6)9-2)72-29-13-12-28-55-52(63)41-33-46(38-18-10-11-19-39(38)51(41)62)59-75(70,71)37-17-14-16-36(32-37)74(68,69)58-45-25-26-47(61)40-20-15-21-44(50(40)45)57-56-43-24-23-35(60(64)65)31-49(43)73(7,66)67/h10-11,14-27,30-33,58-59,61-62H,8-9,12-13,28-29H2,1-7H3,(H,55,63)

InChIKey

InChIKey=HZPBCZNMTORVAS-UHFFFAOYSA-N

SMILES

N(S(=O)(=O)C1=CC(S(NC=2C3=C(C(O)=C(C(NCCCCOC4=C(C(CC)(C)C)C=C(C(CC)(C)C)C=C4)=O)C2)C=CC=C3)(=O)=O)=CC=C1)C=5C=6C(N=NC7=C(S(C)(=O)=O)C=C(N(=O)=O)C=C7)=CC=CC6C(O)=CC5

Canonical SMILES

O=C(NCCCCOC1=CC=C(C=C1C(C)(C)CC)C(C)(C)CC)C=2C=C(NS(=O)(=O)C=3C=CC=C(C3)S(=O)(=O)NC4=CC=C(O)C=5C=CC=C(N=NC6=CC=C(C=C6S(=O)(=O)C)N(=O)=O)C45)C=7C=CC=CC7C2O

Other Names for this Substance

  • 2-Naphthalenecarboxamide, N-[4-[2,4-bis(1,1-dimethylpropyl)phenoxy]butyl]-1-hydroxy-4-[[[3-[[[4-hydroxy-8-[2-[2-(methylsulfonyl)-4-nitrophenyl]diazenyl]-1-naphthalenyl]amino]sulfonyl]phenyl]sulfonyl]amino]-
  • 2-Naphthalenecarboxamide, N-[4-[2,4-bis(1,1-dimethylpropyl)phenoxy]butyl]-1-hydroxy-4-[[[3-[[[4-hydroxy-8-[[2-(methylsulfonyl)-4-nitrophenyl]azo]-1-naphthalenyl]amino]sulfonyl]phenyl]sulfonyl]amino]-
  • N-[4-[2,4-Bis(1,1-dimethylpropyl)phenoxy]butyl]-1-hydroxy-4-[[[3-[[[4-hydroxy-8-[2-[2-(methylsulfonyl)-4-nitrophenyl]diazenyl]-1-naphthalenyl]amino]sulfonyl]phenyl]sulfonyl]amino]-2-naphthalenecarboxamide

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