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4-[2-Amino-3-cyano-4-(2-chlorophenyl)-5,6,7,8-tetrahydroquinolin-1(4H)-yl]benzenesulfonamide
SpectraBase Compound ID JyrJQYnsKjp
InChI InChI=1S/C22H21ClN4O2S/c23-19-7-3-1-5-16(19)21-17-6-2-4-8-20(17)27(22(25)18(21)13-24)14-9-11-15(12-10-14)30(26,28)29/h1,3,5,7,9-12,21H,2,4,6,8,25H2,(H2,26,28,29)
InChIKey MSADLXGTTPCNOZ-UHFFFAOYSA-N
Mol Weight 440.95 g/mol
Molecular Formula C22H21ClN4O2S
Exact Mass 440.107375 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2xG2H77RC0e
Name 4-[2-Amino-3-cyano-4-(2-chlorophenyl)-5,6,7,8-tetrahydroquinolin-1(4H)-yl]benzenesulfonamide
Alternate Name(s) 4-[2-azanyl-4-(2-chlorophenyl)-3-cyano-5,6,7,8-tetrahydro-4H-quinolin-1-yl]benzenesulfonamide
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H21ClN4O2S
InChI InChI=1S/C22H21ClN4O2S/c23-19-7-3-1-5-16(19)21-17-6-2-4-8-20(17)27(22(25)18(21)13-24)14-9-11-15(12-10-14)30(26,28)29/h1,3,5,7,9-12,21H,2,4,6,8,25H2,(H2,26,28,29)
InChIKey MSADLXGTTPCNOZ-UHFFFAOYSA-N
Molecular Weight 440.949 g/mol
SMILES NS(c1ccc(N2C3=C(C(C(=C2N)C#N)c2c(Cl)cccc2)CCCC3)cc1)(=O)=O
SPLASH splash10-0a4i-9000000000-45a10026c30d61855266
Source of Spectrum F2-45-3017-6k
Wiley ID 1689225