N-[5-[[4-[2,4-Bis(1,1-dimethylpropyl)phenoxy]-1-oxobutyl]amino]-2-chlorophenyl]-4,4-dimethyl-3-oxo-2-[4-[[4-(phenylmethoxy)phenyl]sulfonyl]phenoxy]pentanamide

CAS Registry Number®

30744-85-5

CAS Name

N-[5-[[4-[2,4-Bis(1,1-dimethylpropyl)phenoxy]-1-oxobutyl]amino]-2-chlorophenyl]-4,4-dimethyl-3-oxo-2-[4-[[4-(phenylmethoxy)phenyl]sulfonyl]phenoxy]pentanamide

Molecular Formula

C52H61ClN2O8S

Molecular Mass

909.57

Cite this Page

N-[5-[[4-[2,4-Bis(1,1-dimethylpropyl)phenoxy]-1-oxobutyl]amino]-2-chlorophenyl]-4,4-dimethyl-3-oxo-2-[4-[[4-(phenylmethoxy)phenyl]sulfonyl]phenoxy]pentanamide.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=30744-85-5 (retrieved 2024-11-23) (CAS RN: 30744-85-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C52H61ClN2O8S/c1-10-51(6,7)36-19-30-45(42(32-36)52(8,9)11-2)61-31-15-18-46(56)54-37-20-29-43(53)44(33-37)55-49(58)47(48(57)50(3,4)5)63-39-23-27-41(28-24-39)64(59,60)40-25-21-38(22-26-40)62-34-35-16-13-12-14-17-35/h12-14,16-17,19-30,32-33,47H,10-11,15,18,31,34H2,1-9H3,(H,54,56)(H,55,58)

InChIKey

InChIKey=AHFGXYNQFIKDFT-UHFFFAOYSA-N

SMILES

C(CC)(C)(C)C1=C(OCCCC(NC2=CC(NC(C(OC3=CC=C(S(=O)(=O)C4=CC=C(OCC5=CC=CC=C5)C=C4)C=C3)C(C(C)(C)C)=O)=O)=C(Cl)C=C2)=O)C=CC(C(CC)(C)C)=C1

Canonical SMILES

O=C(NC1=CC=C(Cl)C(=C1)NC(=O)C(OC2=CC=C(C=C2)S(=O)(=O)C3=CC=C(OCC=4C=CC=CC4)C=C3)C(=O)C(C)(C)C)CCCOC5=CC=C(C=C5C(C)(C)CC)C(C)(C)CC

Other Names for this Substance

  • Pentanamide, N-[5-[[4-[2,4-bis(1,1-dimethylpropyl)phenoxy]-1-oxobutyl]amino]-2-chlorophenyl]-4,4-dimethyl-3-oxo-2-[4-[[4-(phenylmethoxy)phenyl]sulfonyl]phenoxy]-
  • Valeranilide, 2-[p-[[p-(benzyloxy)phenyl]sulfonyl]phenoxy]-2′-chloro-5′-[4-(2,4-di-tert-pentylphenoxy)butyramido]-4,4-dimethyl-3-oxo-
  • N-[5-[[4-[2,4-Bis(1,1-dimethylpropyl)phenoxy]-1-oxobutyl]amino]-2-chlorophenyl]-4,4-dimethyl-3-oxo-2-[4-[[4-(phenylmethoxy)phenyl]sulfonyl]phenoxy]pentanamide
  • α-Pivalyl-α-[4-(4-benzyloxyphenylsulfonyl)phenoxy]-2-chloro-5-[γ-(2,4-di-tert-amylphenoxy)butyramido]acetanilide

Deleted or Replaced CAS Registry Numbers

75774-51-5

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