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5-(4-Chlorophenylsulfonylamino)-N-(2-hexylaminoethyl)-1-phenyl-1H-pyrazole-4-carboxamide monohydrate
SpectraBase Compound ID CdtvFPxzbkN
InChI InChI=1S/C24H30ClN5O3S.H2O/c1-2-3-4-8-15-26-16-17-27-24(31)22-18-28-30(20-9-6-5-7-10-20)23(22)29-34(32,33)21-13-11-19(25)12-14-21;/h5-7,9-14,18,26,29H,2-4,8,15-17H2,1H3,(H,27,31);1H2
InChIKey LDIRWDOYVURCBQ-UHFFFAOYSA-N
Mol Weight 522.06 g/mol
Molecular Formula C24H32ClN5O4S
Exact Mass 521.186353 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6Wgv1mZdf1v
Name 5-(4-Chlorophenylsulfonylamino)-N-(2-hexylaminoethyl)-1-phenyl-1H-pyrazole-4-carboxamide monohydrate
Alternate Name(s) 5-(4-Chlorophenylsulfonamido)-N-(2-(hexylamino)ethyl)-1-phenyl-1H-pyrazole-4-carboxamide hydrate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H32ClN5O4S
InChI InChI=1S/C24H30ClN5O3S.H2O/c1-2-3-4-8-15-26-16-17-27-24(31)22-18-28-30(20-9-6-5-7-10-20)23(22)29-34(32,33)21-13-11-19(25)12-14-21;/h5-7,9-14,18,26,29H,2-4,8,15-17H2,1H3,(H,27,31);1H2
InChIKey LDIRWDOYVURCBQ-UHFFFAOYSA-N
Literature Reference DOI 10.1002/ardp.200800181
Molecular Weight 522.064 g/mol
SMILES O.N(C(c1c([n](nc1)-c1ccccc1)NS(=O)(=O)c1ccc(cc1)Cl)=O)CCNCCCCCC
SPLASH splash10-0532-9500000000-b5ddbd34ec17dba87a6b
Source of Spectrum APC-342-32-3d
Wiley ID 1768968