benzoic acid, 4-[[4-[4-methyl-3-[[(2-pyridinylmethyl)amino]sulfonyl]phenyl]-1-phthalazinyl]amino]-, methyl ester

SpectraBase Compound ID	HDAJ0dUQKQo
InChI	InChI=1S/C29H25N5O4S/c1-19-10-11-21(17-26(19)39(36,37)31-18-23-7-5-6-16-30-23)27-24-8-3-4-9-25(24)28(34-33-27)32-22-14-12-20(13-15-22)29(35)38-2/h3-17,31H,18H2,1-2H3,(H,32,34)
InChIKey	BYBBEKWZUIYLRV-UHFFFAOYSA-N Google Search
Mol Weight	539.61 g/mol
Molecular Formula	C29H25N5O4S
Exact Mass	539.162725 g/mol

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SpectraBase Spectrum ID	1vhkmDbnjUW
Name	4-[[4-[4-methyl-3-(2-pyridinylmethylsulfamoyl)phenyl]-1-phthalazinyl]amino]benzoic acid methyl ester
Alternate Name(s)	4-[[4-[4-methyl-3-(2-pyridylmethylsulfamoyl)phenyl]phthalazin-1-yl]amino]benzoic acid methyl ester Methyl 4-[[4-[4-methyl-3-(2-pyridylmethylsulfamoyl)phenyl]phthalazin-1-yl]amino]benzoate Methyl 4-[[4-[4-methyl-3-(pyridin-2-ylmethylsulfamoyl)phenyl]phthalazin-1-yl]amino]benzoate
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C29H25N5O4S
InChI	InChI=1S/C29H25N5O4S/c1-19-10-11-21(17-26(19)39(36,37)31-18-23-7-5-6-16-30-23)27-24-8-3-4-9-25(24)28(34-33-27)32-22-14-12-20(13-15-22)29(35)38-2/h3-17,31H,18H2,1-2H3,(H,32,34)
InChIKey	BYBBEKWZUIYLRV-UHFFFAOYSA-N
Molecular Weight	539.610 g/mol
SMILES	N(S(c1cc(-c2c3c(c(nn2)Nc2ccc(C(=O)OC)cc2)cccc3)ccc1C)(=O)=O)Cc1ncccc1
SPLASH	splash10-05xu-9422010000-39d1d5fd9015fe592b7d
Wiley ID	1462773