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5-(4-Chlorophenylsulfonylamino)-N-(2-ethylaminoethyl)-1-phenyl-1H-pyrazole-4-carboxamide
SpectraBase Compound ID 6tZXtgXUdNu
InChI InChI=1S/C20H22ClN5O3S/c1-2-22-12-13-23-20(27)18-14-24-26(16-6-4-3-5-7-16)19(18)25-30(28,29)17-10-8-15(21)9-11-17/h3-11,14,22,25H,2,12-13H2,1H3,(H,23,27)
InChIKey NKGJMXXQVFGMJP-UHFFFAOYSA-N
Mol Weight 447.94 g/mol
Molecular Formula C20H22ClN5O3S
Exact Mass 447.113188 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9zdUmXSWuFM
Name 5-(4-Chlorophenylsulfonylamino)-N-(2-ethylaminoethyl)-1-phenyl-1H-pyrazole-4-carboxamide
Alternate Name(s) 5-(4-Chlorophenylsulfonamido)-N-(2-(ethylamino)ethyl)-1-phenyl-1H-pyrazole-4-carboxamide 5-[(4-chlorophenyl)sulfonylamino]-N-[2-(ethylamino)ethyl]-1-phenyl-4-pyrazolecarboxamide 5-[(4-chlorophenyl)sulfonylamino]-N-[2-(ethylamino)ethyl]-1-phenylpyrazole-4-carboxamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H22ClN5O3S
InChI InChI=1S/C20H22ClN5O3S/c1-2-22-12-13-23-20(27)18-14-24-26(16-6-4-3-5-7-16)19(18)25-30(28,29)17-10-8-15(21)9-11-17/h3-11,14,22,25H,2,12-13H2,1H3,(H,23,27)
InChIKey NKGJMXXQVFGMJP-UHFFFAOYSA-N
Literature Reference DOI 10.1002/ardp.200800181
Molecular Weight 447.941 g/mol
SMILES N(S(=O)(=O)c1ccc(cc1)Cl)c1[n](ncc1C(=O)NCCNCC)-c1ccccc1
SPLASH splash10-0abi-9200000000-0456042b2cfbb2dacb79
Source of Spectrum APC-342-32-3b
Wiley ID 1768966