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1-(benzenesulfonyl)-N-[2-(2-chloro-4-nitro-anilino)ethyl]pyrrolidine-2-carboxamide
SpectraBase Compound ID CRrmH98XHQL
InChI InChI=1S/C19H21ClN4O5S/c20-16-13-14(24(26)27)8-9-17(16)21-10-11-22-19(25)18-7-4-12-23(18)30(28,29)15-5-2-1-3-6-15/h1-3,5-6,8-9,13,18,21H,4,7,10-12H2,(H,22,25)
InChIKey MNPDXQXSQPEVMZ-UHFFFAOYSA-N
Mol Weight 452.91 g/mol
Molecular Formula C19H21ClN4O5S
Exact Mass 452.092119 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JKrhS9AufH
Name 1-(benzenesulfonyl)-N-[2-(2-chloro-4-nitro-anilino)ethyl]pyrrolidine-2-carboxamide
Alternate Name(s) 1-(benzenesulfonyl)-N-[2-(2-chloro-4-nitroanilino)ethyl]-2-pyrrolidinecarboxamide 1-besyl-N-[2-(2-chloro-4-nitro-anilino)ethyl]pyrrolidine-2-carboxamide N-[2-[(2-chloranyl-4-nitro-phenyl)amino]ethyl]-1-(phenylsulfonyl)pyrrolidine-2-carboxamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H21ClN4O5S
InChI InChI=1S/C19H21ClN4O5S/c20-16-13-14(24(26)27)8-9-17(16)21-10-11-22-19(25)18-7-4-12-23(18)30(28,29)15-5-2-1-3-6-15/h1-3,5-6,8-9,13,18,21H,4,7,10-12H2,(H,22,25)
InChIKey MNPDXQXSQPEVMZ-UHFFFAOYSA-N
Molecular Weight 452.913 g/mol
SMILES N(C(C1N(S(=O)(=O)c2ccccc2)CCC1)=O)CCNc1c(cc(N(=O)=O)cc1)Cl
SPLASH splash10-03di-4790000000-1dc3695a429b263d74da
Wiley ID 1454860