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3-Methyl-1-(phenylsulfonyl)-3-{4-[N-(phenylsulfonyl)-N-(methoxycarboylmethyl)amino]but-2-en-1yl}-2,3-dihydro-1H-indole
SpectraBase Compound ID 2OEwx6SbrvN
InChI InChI=1S/C28H30N2O6S2/c1-28(19-11-12-20-29(21-27(31)36-2)37(32,33)23-13-5-3-6-14-23)22-30(26-18-10-9-17-25(26)28)38(34,35)24-15-7-4-8-16-24/h3-18H,19-22H2,1-2H3/b12-11+
InChIKey LJUDBPPPAWICCW-VAWYXSNFSA-N
Mol Weight 554.68 g/mol
Molecular Formula C28H30N2O6S2
Exact Mass 554.154529 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JkpWNXq1KGW
Name 3-Methyl-1-(phenylsulfonyl)-3-{4-[N-(phenylsulfonyl)-N-(methoxycarboylmethyl)amino]but-2-en-1yl}-2,3-dihydro-1H-indole
Alternate Name(s) Methyl[{(2E)-4-[3-methyl-1-(phenylsulfonyl)-2,3-dihydro-1H-indol-3-yl]-2-butenyl}(phenylsulfonyl)amino]acetate 2-[benzenesulfonyl-[(E)-4-[1-(benzenesulfonyl)-3-methyl-2H-indol-3-yl]but-2-enyl]amino]acetic acid methyl ester Methyl 2-[benzenesulfonyl-[(E)-4-[1-(benzenesulfonyl)-3-methyl-2H-indol-3-yl]but-2-enyl]amino]acetate Methyl 2-[benzenesulfonyl-[(E)-4-[1-(benzenesulfonyl)-3-methyl-indolin-3-yl]but-2-enyl]amino]acetate Methyl 2-[[(E)-4-[3-methyl-1-(phenylsulfonyl)-2H-indol-3-yl]but-2-enyl]-(phenylsulfonyl)amino]ethanoate
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Formula C28H30N2O6S2
InChI InChI=1S/C28H30N2O6S2/c1-28(19-11-12-20-29(21-27(31)36-2)37(32,33)23-13-5-3-6-14-23)22-30(26-18-10-9-17-25(26)28)38(34,35)24-15-7-4-8-16-24/h3-18H,19-22H2,1-2H3/b12-11+
InChIKey LJUDBPPPAWICCW-VAWYXSNFSA-N
Molecular Weight 554.676 g/mol
SMILES c12N(S(=O)(=O)c3ccccc3)CC(c1cccc2)(C\C=C\CN(S(=O)(=O)c1ccccc1)CC(=O)OC)C
SPLASH splash10-00e9-3790000000-b2ede31f136dfdd46335
Source of Spectrum F-57-615-15
Wiley ID 1549299