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[1-(benzenesulfonyl)-3-[2-[(3E)-3-(dimethylhydrazinylidene)-2-oxopiperidin-1-yl]ethyl]indol-2-yl]methyl benzoate
SpectraBase Compound ID 1XgJcG5O2m8
InChI InChI=1S/C31H32N4O5S/c1-33(2)32-27-17-11-20-34(30(27)36)21-19-26-25-16-9-10-18-28(25)35(41(38,39)24-14-7-4-8-15-24)29(26)22-40-31(37)23-12-5-3-6-13-23/h3-10,12-16,18H,11,17,19-22H2,1-2H3/b32-27+
InChIKey CIGWNDFFCSSJCQ-QVAGMWBUSA-N
Mol Weight 572.7 g/mol
Molecular Formula C31H32N4O5S
Exact Mass 572.209341 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID rp9n3hKxLw
Name [1-(benzenesulfonyl)-3-[2-[(3E)-3-(dimethylhydrazinylidene)-2-oxopiperidin-1-yl]ethyl]indol-2-yl]methyl benzoate
Alternate Name(s) [1-(benzenesulfonyl)-3-[2-[(3E)-3-(dimethylhydrazono)-2-oxo-1-piperidyl]ethyl]indol-2-yl]methyl benzoate [3-[2-[(3E)-3-(dimethylhydrazinylidene)-2-oxidanylidene-piperidin-1-yl]ethyl]-1-(phenylsulfonyl)indol-2-yl]methyl benzoate benzoic acid [1-(benzenesulfonyl)-3-[2-[(3E)-3-(dimethylhydrazinylidene)-2-oxo-1-piperidinyl]ethyl]-2-indolyl]methyl ester
CAS Registry Number 108913-82-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C31H32N4O5S
InChI InChI=1S/C31H32N4O5S/c1-33(2)32-27-17-11-20-34(30(27)36)21-19-26-25-16-9-10-18-28(25)35(41(38,39)24-14-7-4-8-15-24)29(26)22-40-31(37)23-12-5-3-6-13-23/h3-10,12-16,18H,11,17,19-22H2,1-2H3/b32-27+
InChIKey CIGWNDFFCSSJCQ-QVAGMWBUSA-N
Molecular Weight 572.680 g/mol
SMILES c1(S([n]2c(c(CCN3C(\C(=N\N(C)C)CCC3)=O)c3c2cccc3)COC(=O)c2ccccc2)(=O)=O)ccccc1
SPLASH splash10-0a6s-4950010000-55ed74f478c5bd456bc5
Source of Spectrum F-42-1509-22
Wiley ID 1407855