3-[4-(2-Cyanoethyl)-4,5-dihydro-5-oxo-3-[4-[(1-oxohexadecyl)amino]phenyl]-1H-pyrazol-1-yl]benzenesulfonic acid

CAS Registry Number®

94944-74-8

CAS Name

3-[4-(2-Cyanoethyl)-4,5-dihydro-5-oxo-3-[4-[(1-oxohexadecyl)amino]phenyl]-1H-pyrazol-1-yl]benzenesulfonic acid

Molecular Formula

C34H46N4O5S

Molecular Mass

622.82

Cite this Page

3-[4-(2-Cyanoethyl)-4,5-dihydro-5-oxo-3-[4-[(1-oxohexadecyl)amino]phenyl]-1H-pyrazol-1-yl]benzenesulfonic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=94944-74-8 (retrieved 2025-03-12) (CAS RN: 94944-74-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C34H46N4O5S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-20-32(39)36-28-23-21-27(22-24-28)33-31(19-16-25-35)34(40)38(37-33)29-17-15-18-30(26-29)44(41,42)43/h15,17-18,21-24,26,31H,2-14,16,19-20H2,1H3,(H,36,39)(H,41,42,43)

InChIKey

InChIKey=ADSVMOOPQPIGEI-UHFFFAOYSA-N

SMILES

C(CC#N)C1C(=NN(C1=O)C2=CC(S(=O)(=O)O)=CC=C2)C3=CC=C(NC(CCCCCCCCCCCCCCC)=O)C=C3

Canonical SMILES

N#CCCC1C(=O)N(N=C1C=2C=CC(=CC2)NC(=O)CCCCCCCCCCCCCCC)C3=CC=CC(=C3)S(=O)(=O)O

Other Names for this Substance

  • Benzenesulfonic acid, 3-[4-(2-cyanoethyl)-4,5-dihydro-5-oxo-3-[4-[(1-oxohexadecyl)amino]phenyl]-1H-pyrazol-1-yl]-
  • 3-[4-(2-Cyanoethyl)-4,5-dihydro-5-oxo-3-[4-[(1-oxohexadecyl)amino]phenyl]-1H-pyrazol-1-yl]benzenesulfonic acid

CAS INSIGHTSTM
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