CAS 2498-95-5 MFCD02498955-7-Benzothiazolesulfonic acid, 2-(4-((2-cyano-3-(4-(methyl(2-sulfoethyl)amino)phenyl)-1-oxo-2-propen-1-yl)amino)phenyl)-6-methyl-, sodium salt (1:2) -LabNovo

SMILES: Cc1ccc2nc(-c3ccc(NC(=O)/C(C#N)=C/c4ccc(N(C)CCS(=O)(=O)[O-])cc4)cc3)sc2c1S(=O)(=O)[O-].[Na+].[Na+]

Mol. Formula	C27H22N4Na2O7S3

Chemical Name	7-Benzothiazolesulfonic acid, 2-(4-((2-cyano-3-(4-(methyl(2-sulfoethyl)amino)phenyl)-1-oxo-2-propen-1-yl)amino)phenyl)-6-methyl-, sodium salt (1:2)
Chemicalbook ID	CB5894446
InChIKey	RXTSUBROMXGEJZ-ZAWKPCBGSA-L
PubChem Substance ID	6441281
InChI	InChI=1S/C27H24N4O7S3.2Na/c1-17-3-12-23-24(25(17)41(36,37)38)39-27(30-23)19-6-8-21(9-7-19)29-26(32)20(16-28)15-18-4-10-22(11-5-18)31(2)13-14-40(33,34)35;;/h3-12,15H,13-14H2,1-2H3,(H,29,32)(H,33,34,35)(H,36,37,38);;/q;2*+1/p-2/b20-15+;;

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