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Ethyl N-[2'-[1'-(2-nitropyrrolyl)]phenyl]-N-toluene-4-sulfonyl glycinate
SpectraBase Compound ID JWNBU4Abclc
InChI InChI=1S/C21H21N3O6S/c1-3-30-21(25)15-23(31(28,29)17-12-10-16(2)11-13-17)19-8-5-4-7-18(19)22-14-6-9-20(22)24(26)27/h4-14H,3,15H2,1-2H3
InChIKey RXQNXZGSBDULNQ-UHFFFAOYSA-N
Mol Weight 443.47 g/mol
Molecular Formula C21H21N3O6S
Exact Mass 443.115107 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EOkxIECLLFs
Name Ethyl N-[2'-[1'-(2-nitropyrrolyl)]phenyl]-N-toluene-4-sulfonyl glycinate
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Formula C21H21N3O6S
InChI InChI=1S/C21H21N3O6S/c1-3-30-21(25)15-23(31(28,29)17-12-10-16(2)11-13-17)19-8-5-4-7-18(19)22-14-6-9-20(22)24(26)27/h4-14H,3,15H2,1-2H3
InChIKey RXQNXZGSBDULNQ-UHFFFAOYSA-N
Molecular Weight 443.474 g/mol
SMILES c1(N(S(c2ccc(C)cc2)(=O)=O)CC(=O)OCC)c(-[n]2c(N(=O)=O)ccc2)cccc1
SPLASH splash10-0150-0992100000-7ae92fc399e9357aeb59
Source of Spectrum F-52-4492-4
Synonyms 2-[N-(4-methylphenyl)sulfonyl-2-(2-nitro-1-pyrrolyl)anilino]acetic acid ethyl ester Ethyl 2-[N-(4-methylphenyl)sulfonyl-2-(2-nitropyrrol-1-yl)anilino]acetate Ethyl 2-[2-(2-nitropyrrol-1-yl)-N-(p-tolylsulfonyl)anilino]acetate Ethyl 2-[(4-methylphenyl)sulfonyl-[2-(2-nitropyrrol-1-yl)phenyl]amino]ethanoate
Wiley ID 795984