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5-(4-Chlorophenylsulfonylamino)-1-phenyl-N-(1-phenylmethyl-4-piperidinyl)-1H-pyrazole-4-carboxamide dihydrate
SpectraBase Compound ID 8Cs4Bdf8h9Z
InChI InChI=1S/C28H28ClN5O3S.H2O/c29-22-11-13-25(14-12-22)38(36,37)32-27-26(19-30-34(27)24-9-5-2-6-10-24)28(35)31-23-15-17-33(18-16-23)20-21-7-3-1-4-8-21;/h1-14,19,23,32H,15-18,20H2,(H,31,35);1H2
InChIKey DVOHEYILAIIGAX-UHFFFAOYSA-N
Mol Weight 568.09 g/mol
Molecular Formula C28H30ClN5O4S
Exact Mass 567.170703 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID A7IPyyohS06
Name 5-(4-Chlorophenylsulfonylamino)-1-phenyl-N-(1-phenylmethyl-4-piperidinyl)-1H-pyrazole-4-carboxamide dihydrate
Alternate Name(s) N-(1-benzylpiperidin-4-yl)-5-(4-chlorophenylsulfonamido)-1-phenyl-1H-pyrazole-4-carboxamide hydrate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H30ClN5O4S
InChI InChI=1S/C28H28ClN5O3S.H2O/c29-22-11-13-25(14-12-22)38(36,37)32-27-26(19-30-34(27)24-9-5-2-6-10-24)28(35)31-23-15-17-33(18-16-23)20-21-7-3-1-4-8-21;/h1-14,19,23,32H,15-18,20H2,(H,31,35);1H2
InChIKey DVOHEYILAIIGAX-UHFFFAOYSA-N
Literature Reference DOI 10.1002/ardp.200800181
Molecular Weight 568.092 g/mol
SMILES O.N(C(c1c([n](nc1)-c1ccccc1)NS(=O)(=O)c1ccc(cc1)Cl)=O)C1CCN(CC1)Cc1ccccc1
SPLASH splash10-006x-9101000000-deb870603588d86b553e
Source of Spectrum APC-342-32-3g
Wiley ID 1768971