CID 51059925

3-({4-[3-(aminosulfonyl)-4-chlorobenzoyl]-1-piperazinyl}sulfonyl)-4-chloro-n-(1-phenylethyl)benzamide

Structural Information

Molecular Formula
C26H26Cl2N4O6S2
SMILES
CC(C1=CC=CC=C1)NC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCN(CC3)C(=O)C4=CC(=C(C=C4)Cl)S(=O)(=O)N
InChI
InChI=1S/C26H26Cl2N4O6S2/c1-17(18-5-3-2-4-6-18)30-25(33)19-7-9-22(28)24(15-19)40(37,38)32-13-11-31(12-14-32)26(34)20-8-10-21(27)23(16-20)39(29,35)36/h2-10,15-17H,11-14H2,1H3,(H,30,33)(H2,29,35,36)
InChIKey
NZCDWPABONCXOF-UHFFFAOYSA-N
Compound name
4-chloro-3-[4-(4-chloro-3-sulfamoylbenzoyl)piperazin-1-yl]sulfonyl-N-(1-phenylethyl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

624.0671 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 625.07438 229.0
[M+Na]+ 647.05632 232.1
[M-H]- 623.05982 236.8
[M+NH4]+ 642.10092 228.4
[M+K]+ 663.03026 226.0
[M+H-H2O]+ 607.06436 221.0
[M+HCOO]- 669.06530 223.9
[M+CH3COO]- 683.08095 256.3
[M+Na-2H]- 645.04177 229.9
[M]+ 624.06655 231.9
[M]- 624.06765 231.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.