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1-(3-Chloranyl-4-methyl-phenyl)-4-(2-methyl-5-nitro-phenyl)sulfonyl-piperazine
SpectraBase Compound ID 7cwVmTpkRBH
InChI InChI=1S/C18H20ClN3O4S/c1-13-3-5-15(11-17(13)19)20-7-9-21(10-8-20)27(25,26)18-12-16(22(23)24)6-4-14(18)2/h3-6,11-12H,7-10H2,1-2H3
InChIKey JPGMKFUFHRDNBY-UHFFFAOYSA-N
Mol Weight 409.89 g/mol
Molecular Formula C18H20ClN3O4S
Exact Mass 409.086305 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LwV7qSxCKJg
Name 1-(3-Chloranyl-4-methyl-phenyl)-4-(2-methyl-5-nitro-phenyl)sulfonyl-piperazine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H20ClN3O4S
InChI InChI=1S/C18H20ClN3O4S/c1-13-3-5-15(11-17(13)19)20-7-9-21(10-8-20)27(25,26)18-12-16(22(23)24)6-4-14(18)2/h3-6,11-12H,7-10H2,1-2H3
InChIKey JPGMKFUFHRDNBY-UHFFFAOYSA-N
Molecular Weight 409.888 g/mol
SMILES Cc1ccc(N2CCN(S(c3cc(N(=O)=O)ccc3C)(=O)=O)CC2)cc1Cl
SPLASH splash10-0bt9-1390600000-f1c81c8b0376337ce6d4
Synonyms 1-(3-Chloro-4-methyl-phenyl)-4-(2-methyl-5-nitro-phenyl)sulfonyl-piperazine
Wiley ID 1442866