Systematic / IUPAC Name: N-[4-[[(1S,4S)-4-[1-(4-tert-Butylphenyl)-3,5-dimethylpyrazol-4-yl]cyclopent-2-en-1-yl]sulfamoyl]phenyl]acetamide
ID: Reference9211
Other Names:
Acetamide, N-[4-[[[(1S,4S)-4-[1-[4-(1,1-dimethylethyl)phenyl]-3,5-dimethyl-1H-pyrazol-4-yl]-2-cyclopenten-1-yl]amino]sulfonyl]phenyl]-;
NAT16-377634
Formula: C28H34N4O3S
N-(4-{[(1S,4S)-4-{3,5-Dimethyl-1-[4-(2-methyl-2-propanyl)phenyl]-1H-pyrazol-4-yl}-2-cyclopenten-1-yl]sulfamoyl}phenyl)acetamide mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.
Used Instruments | Orbitrap Fusion Lumos with ETD LBP FAIMS |
No. of Spectral Trees | 2 |
No. of Spectra | 3788 |
Tandem Spectra | MS1, MS2, MS3, MS4, MS5 |
Ionization Methods | NSI |
Analyzers | FT |
Last Modification | 12/5/2019 7:41:53 AM |
InChI | InChI=1S/C28H34N4O3S/c1-18-27(19(2)32(30-18)25-13-8-22(9-14-25)28(4,5)6)21-7-10-24(17-21)31-36(34,35)26-15-11-23(12-16-26)29-20(3)33/h7-16,21,24,31H,17H2,1-6H3,(H,29,33)/t21-,24-/m1/s1 |
InChI Key | QAUJQTPGMCFPLT-ZJSXRUAMSA-N |
Canonical SMILES | CC1=C(C(=NN1C2=CC=C(C=C2)C(C)(C)C)C)C3CC(C=C3)NS(=O)(=O)C4=CC=C(C=C4)NC(=O)C |
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Other Names |
Acetamide, N-[4-[[[(1S,4S)-4-[1-[4-(1,1-dimethylethyl)phenyl]-3,5-dimethyl-1H-pyrazol-4-yl]-2-cyclopenten-1-yl]amino]sulfonyl]phenyl]-; NAT16-377634 |