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rac-3-(2-Nitrobenzenesulfonyl)amino-4-(3-indolyl)butanenitrile
SpectraBase Compound ID DtddaGx62qV
InChI InChI=1S/C18H16N4O4S/c19-10-9-14(11-13-12-20-16-6-2-1-5-15(13)16)21-27(25,26)18-8-4-3-7-17(18)22(23)24/h1-8,12,14,20-21H,9,11H2
InChIKey LZWHLGLEJKKYCF-UHFFFAOYSA-N
Mol Weight 384.41 g/mol
Molecular Formula C18H16N4O4S
Exact Mass 384.089226 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4pbxdRsXizu
Name rac-3-(2-Nitrobenzenesulfonyl)amino-4-(3-indolyl)butanenitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H16N4O4S
InChI InChI=1S/C18H16N4O4S/c19-10-9-14(11-13-12-20-16-6-2-1-5-15(13)16)21-27(25,26)18-8-4-3-7-17(18)22(23)24/h1-8,12,14,20-21H,9,11H2
InChIKey LZWHLGLEJKKYCF-UHFFFAOYSA-N
Molecular Weight 384.410 g/mol
SMILES N(S(c1c(N(=O)=O)cccc1)(=O)=O)C(Cc1c[nH]c2c1cccc2)CC#N
SPLASH splash10-001i-0901000000-45f718f3a43e1c4d0382
Source of Spectrum KD-16-1712-3
Synonyms N-[2-cyano-1-(1H-indol-3-ylmethyl)ethyl]-2-nitrobenzenesulfonamide
Wiley ID 1637667