Glycine, N-phenyl-N-[2-[4-[[4-[2-phenyldiazenyl]phenyl]sulfonyl]-1-piperazinyl]acetyl]-, ethyl ester

SpectraBase Compound ID	GdNZS3A3UpS
InChI	InChI=1S/C28H31N5O5S/c1-2-38-28(35)22-33(25-11-7-4-8-12-25)27(34)21-31-17-19-32(20-18-31)39(36,37)26-15-13-24(14-16-26)30-29-23-9-5-3-6-10-23/h3-16H,2,17-22H2,1H3/b30-29+
InChIKey	XRFOZUJKFQETEX-QVIHXGFCSA-N Google Search
Mol Weight	549.65 g/mol
Molecular Formula	C28H31N5O5S
Exact Mass	549.20459 g/mol

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SpectraBase Spectrum ID	GpJO29yGip0
Name	Glycine, N-phenyl-N-[2-[4-[[4-[2-phenyldiazenyl]phenyl]sulfonyl]-1-piperazinyl]acetyl]-, ethyl ester
Comments	Computed using HOSE algorithm
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	549.204590287 u
Formula	C28H31N5O5S
InChI	InChI=1S/C28H31N5O5S/c1-2-38-28(35)22-33(25-11-7-4-8-12-25)27(34)21-31-17-19-32(20-18-31)39(36,37)26-15-13-24(14-16-26)30-29-23-9-5-3-6-10-23/h3-16H,2,17-22H2,1H3/b30-29+
InChIKey	XRFOZUJKFQETEX-QVIHXGFCSA-N
Molecular Weight	549.646 g/mol
SMILES	CCOC(=O)CN(C(=O)CN1CCN(CC1)S(=O)(=O)C1=CC=C(C=C1)\N=N\C1=CC=CC=C1)C1=CC=CC=C1