N-(1-ethylquinolin-6-yl)-4-[4-[(1-ethylquinolin-6-yl)carbamoyl]phenyl]benzamide; 4-methylbenzenesulfonate
Molecular Formula:
C
50
H
46
N
4
O
8
S
2
InChI:
InChI=1/C36H30N4O2.2C7H8O3S/c1-3-39-21-5-7-29-23-31(17-19-33(29)39)37-35(41)27-13-9-25(10-14-27)26-11-15-28(16-12-26)36(42)38-32-18-20-34-30(24-32)8-6-22-40(34)4-2;2*1-6-2-4-7(5-3-6)11(8,9)10/h5-24H,3-4H2,1-2H3;2*2-5H,1H3,(H,8,9,10)/fC36H32N4O2.2C7H7O3S/h37-38H;;/q+2;2*-1
InChIKey:
InChIKey=JENUUMUEYUTBEW-VXULTUPXCR
SMILES:
CC[N+]1=CC=CC2=C1C=CC(=C2)NC(=O)C3=CC=C(C=C3)C4=CC=C(C=C4)C(=O)NC5=CC6=C(C=C5)[N+](=CC=C6)CC.CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=CC=C(C=C1)S(=O)(=O)[O-]
Names:
N-(1-ethylquinolin-6-yl)-4-[4-[(1-ethylquinolin-6-yl)carbamoyl]phenyl]benzamide; 4-methylbenzenesulfonate
Registries:
PubChem CID 161249
PubChem ID 10254394
