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4-[2-Amino-4-(benzo[d][1,3]dioxol-5yl)-3-cyano-5,6,7,8-tetrahydroquinolin-1(4H)-yl]benzenesulfonamide
SpectraBase Compound ID D3Nzjex1TzA
InChI InChI=1S/C23H22N4O4S/c24-12-18-22(14-5-10-20-21(11-14)31-13-30-20)17-3-1-2-4-19(17)27(23(18)25)15-6-8-16(9-7-15)32(26,28)29/h5-11,22H,1-4,13,25H2,(H2,26,28,29)
InChIKey JZNCSWFSJOOTMD-UHFFFAOYSA-N
Mol Weight 450.51 g/mol
Molecular Formula C23H22N4O4S
Exact Mass 450.136176 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FF36V5pxiJC
Name 4-[2-Amino-4-(benzo[d][1,3]dioxol-5yl)-3-cyano-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 C23H22N4O4S
InChI InChI=1S/C23H22N4O4S/c24-12-18-22(14-5-10-20-21(11-14)31-13-30-20)17-3-1-2-4-19(17)27(23(18)25)15-6-8-16(9-7-15)32(26,28)29/h5-11,22H,1-4,13,25H2,(H2,26,28,29)
InChIKey JZNCSWFSJOOTMD-UHFFFAOYSA-N
Molecular Weight 450.513 g/mol
SMILES NS(c1ccc(N2C3=C(C(C(=C2N)C#N)c2cc4OCOc4cc2)CCCC3)cc1)(=O)=O
SPLASH splash10-0006-9000000000-5ebb49b9d3e6184d9826
Source of Spectrum F2-45-3017-6h
Synonyms 4-[2-azanyl-4-(1,3-benzodioxol-5-yl)-3-cyano-5,6,7,8-tetrahydro-4H-quinolin-1-yl]benzenesulfonamide
Wiley ID 1689226