2-amino-N,N'-bis[4-[(1-methylpyridin-5-yl)carbamoyl]phenyl]benzene-1,4-dicarboxamide; 4-methylbenzenesulfonate

Molecular Formula: C48H45N7O10S2


InChI: InChI=1/C34H29N7O4.2C7H8O3S/c1-40-17-3-5-27(20-40)38-31(42)22-7-12-25(13-8-22)36-33(44)24-11-16-29(30(35)19-24)34(45)37-26-14-9-23(10-15-26)32(43)39-28-6-4-18-41(2)21-28;2*1-6-2-4-7(5-3-6)11(8,9)10/h3-21H,1-2H3,(H4-2,35,36,37,38,39,42,43,44,45);2*2-5H,1H3,(H,8,9,10)/fC34H31N7O4.2C7H7O3S/h36-39H,35H2;;/q+2;2*-1

InChIKey: InChIKey=DVHHXRUTLXQEIF-BJMSDKGQCQ
SMILES: CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=CC=C(C=C1)S(=O)(=O)[O-].C[N+]1=CC=CC(=C1)NC(=O)C2=CC=C(C=C2)NC(=O)C3=CC(=C(C=C3)C(=O)NC4=CC=C(C=C4)C(=O)NC5=C[N+](=CC=C5)C)N

Names:
    2-amino-N,N'-bis[4-[(1-methylpyridin-5-yl)carbamoyl]phenyl]benzene-1,4-dicarboxamide; 4-methylbenzenesulfonate

Registries:
    PubChem CID 204647
    PubChem ID 10266369