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4-[2-Amino-3-cyano-4-(3-nitrophenyl)-5,6,7,8-tetrahydroquinolin-1(4H)-yl]benzenesulfonamide
SpectraBase Compound ID JWsqVS80zDH
InChI InChI=1S/C22H21N5O4S/c23-13-19-21(14-4-3-5-16(12-14)27(28)29)18-6-1-2-7-20(18)26(22(19)24)15-8-10-17(11-9-15)32(25,30)31/h3-5,8-12,21H,1-2,6-7,24H2,(H2,25,30,31)
InChIKey KXAQAFOAFFHHJQ-UHFFFAOYSA-N
Mol Weight 451.5 g/mol
Molecular Formula C22H21N5O4S
Exact Mass 451.131425 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID L8YQgaxJgWr
Name 4-[2-Amino-3-cyano-4-(3-nitrophenyl)-5,6,7,8-tetrahydroquinolin-1(4H)-yl]benzenesulfonamide
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H21N5O4S
InChI InChI=1S/C22H21N5O4S/c23-13-19-21(14-4-3-5-16(12-14)27(28)29)18-6-1-2-7-20(18)26(22(19)24)15-8-10-17(11-9-15)32(25,30)31/h3-5,8-12,21H,1-2,6-7,24H2,(H2,25,30,31)
InChIKey KXAQAFOAFFHHJQ-UHFFFAOYSA-N
Molecular Weight 451.501 g/mol
SMILES NS(c1ccc(N2C=3CCCCC3C(C(=C2N)C#N)c2cc(N(=O)=O)ccc2)cc1)(=O)=O
SPLASH splash10-0006-9000000000-60340d32b38564699fb9
Source of Spectrum F2-45-3017-6i
Synonyms 4-[2-azanyl-3-cyano-4-(3-nitrophenyl)-5,6,7,8-tetrahydro-4H-quinolin-1-yl]benzenesulfonamide
Wiley ID 1689227