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N-(6-chloro-2-cyclohexylquinolin-4-yl)-N-(4-methoxybenzyl)-4-methylbenzenesulfonamide
SpectraBase Compound ID 94z1udUqptj
InChI InChI=1S/C30H31ClN2O3S/c1-21-8-15-26(16-9-21)37(34,35)33(20-22-10-13-25(36-2)14-11-22)30-19-29(23-6-4-3-5-7-23)32-28-17-12-24(31)18-27(28)30/h8-19,23H,3-7,20H2,1-2H3
InChIKey WNKQMNVHXCMRRZ-UHFFFAOYSA-N
Mol Weight 535.1 g/mol
Molecular Formula C30H31ClN2O3S
Exact Mass 534.174392 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID K48nElCW5Im
Name N-(6-chloro-2-cyclohexylquinolin-4-yl)-N-(4-methoxybenzyl)-4-methylbenzenesulfonamide
Appearance Colorless crystal
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Exact Mass 534.174391737 u
Formula C30H31ClN2O3S
InChI InChI=1S/C30H31ClN2O3S/c1-21-8-15-26(16-9-21)37(34,35)33(20-22-10-13-25(36-2)14-11-22)30-19-29(23-6-4-3-5-7-23)32-28-17-12-24(31)18-27(28)30/h8-19,23H,3-7,20H2,1-2H3
InChIKey WNKQMNVHXCMRRZ-UHFFFAOYSA-N
Ionization Type EI
Literature Reference DOI 10.1002/anie.201511385
Molecular Weight 535.102 g/mol
Quality 45
Reported Formula C30H31N2O3(32)S(35)Cl
SMILES C1(N(CC2=CC=C(C=C2)OC)S(C2=CC=C(C=C2)C)(=O)=O)=CC(=NC2=C1C=C(C=C2)Cl)C1CCCCC1
SPLASH splash10-00di-0901000000-707b741939e50507d915
Source of Spectrum ACI-55-SM37-52 (DOI: 10.1002/anie.201511385)
Wiley ID 1895179