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
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CAS Name
3-[4-(2-Cyanoethyl)-4,5-dihydro-5-oxo-3-[4-[(1-oxohexadecyl)amino]phenyl]-1H-pyrazol-1-yl]benzenesulfonic acidMolecular Formula
C34H46N4O5SMolecular Mass
622.82Cite 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 ) (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
