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4-[2-Amino-3-cyano-4-(thiophen-2-yl)-5,6,7,8-tetrahydroquinolin-1(4H)-yl]benzenesulfonamide
SpectraBase Compound ID BLUUJFf8U5s
InChI InChI=1S/C20H20N4O2S2/c21-12-16-19(18-6-3-11-27-18)15-4-1-2-5-17(15)24(20(16)22)13-7-9-14(10-8-13)28(23,25)26/h3,6-11,19H,1-2,4-5,22H2,(H2,23,25,26)
InChIKey WIGPLOGQHVRHCO-UHFFFAOYSA-N
Mol Weight 412.53 g/mol
Molecular Formula C20H20N4O2S2
Exact Mass 412.102768 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID J6CnqIoGU2Y
Name 4-[2-Amino-3-cyano-4-(thiophen-2-yl)-5,6,7,8-tetrahydroquinolin-1(4H)-yl]benzenesulfonamide
Alternate Name(s) 4-(2-amino-3-cyano-4-thiophen-2-yl-5,6,7,8-tetrahydro-4H-quinolin-1-yl)benzenesulfonamide 4-(2-azanyl-3-cyano-4-thiophen-2-yl-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 C20H20N4O2S2
InChI InChI=1S/C20H20N4O2S2/c21-12-16-19(18-6-3-11-27-18)15-4-1-2-5-17(15)24(20(16)22)13-7-9-14(10-8-13)28(23,25)26/h3,6-11,19H,1-2,4-5,22H2,(H2,23,25,26)
InChIKey WIGPLOGQHVRHCO-UHFFFAOYSA-N
Molecular Weight 412.526 g/mol
SMILES NS(c1ccc(N2C3=C(C(C(=C2N)C#N)c2sccc2)CCCC3)cc1)(=O)=O
SPLASH splash10-0006-9000000000-8b81a9342aa89e0821c7
Source of Spectrum F2-45-3018-6u
Wiley ID 1689221