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N-(1-besyl-5-iodo-7-methoxy-4-methylol-3,4-dihydro-2H-quinolin-6-yl)-N-but-3-enyl-benzenesulfonamide
SpectraBase Compound ID D2vF3IVRGVb
InChI InChI=1S/C27H29IN2O6S2/c1-3-4-16-30(38(34,35)22-13-9-6-10-14-22)27-24(36-2)18-23-25(26(27)28)20(19-31)15-17-29(23)37(32,33)21-11-7-5-8-12-21/h3,5-14,18,20,31H,1,4,15-17,19H2,2H3
InChIKey JLZURUGBADAJJI-UHFFFAOYSA-N
Mol Weight 668.56 g/mol
Molecular Formula C27H29IN2O6S2
Exact Mass 668.051174 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8y3VhPgSgnF
Name N-(1-besyl-5-iodo-7-methoxy-4-methylol-3,4-dihydro-2H-quinolin-6-yl)-N-but-3-enyl-benzenesulfonamide
Alternate Name(s) N-but-3-enyl-N-[4-(hydroxymethyl)-5-iodanyl-7-methoxy-1-(phenylsulfonyl)-3,4-dihydro-2H-quinolin-6-yl]benzenesulfonamide N-[1-(benzenesulfonyl)-4-(hydroxymethyl)-5-iodo-7-methoxy-3,4-dihydro-2H-quinolin-6-yl]-N-but-3-enyl-benzenesulfonamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H29IN2O6S2
InChI InChI=1S/C27H29IN2O6S2/c1-3-4-16-30(38(34,35)22-13-9-6-10-14-22)27-24(36-2)18-23-25(26(27)28)20(19-31)15-17-29(23)37(32,33)21-11-7-5-8-12-21/h3,5-14,18,20,31H,1,4,15-17,19H2,2H3
InChIKey JLZURUGBADAJJI-UHFFFAOYSA-N
Molecular Weight 668.561 g/mol
SMILES OCC1CCN(S(=O)(=O)c2ccccc2)c2c1c(I)c(c(c2)OC)N(S(=O)(=O)c1ccccc1)CCC=C
SPLASH splash10-004i-1002069000-446700d7ebe6915d453f
Source of Spectrum K1-43523-2754-17
Wiley ID 1521251