The Biofilms Structural Database
|
|
The Biofilms Structural Database |
BDM43265 |
|
|---|---|
6HO3 |
|
Code
GJ2 | |
|
Name |
4-[3-(phenylsulfonylamino)prop-1-ynyl]-~{N}-[3,3,3-tris(fluoranyl)propyl]benzenesulfonamide |
|
Molecular Weight |
446.46 |
|
Isomeric SMILES |
c1ccc(cc1)S(=O)(=O)NCC#Cc2ccc(cc2)S(=O)(=O)NCCC(F)(F)F |
|
Formula |
C18H17F3N2O4S2 |
|
Identifiers |
4-[3-(phenylsulfonylamino)prop-1-ynyl]-~{N}-[3,3,3-tris(fluoranyl)propyl]benzenesulfonamide |
|
Formal Charge |
0 |
|
InChI |
InChI=1S/C18H17F3N2O4S2/c19-18(20,21)12-14-23-29(26,27)17-10-8-15(9-11-17)5-4-13-22-28(24,25)16-6-2-1-3-7-16/h1-3,6-11,22-23H,12-14H2 |
|
Atom Count |
46 |
|
InChIKey |
YOHZJJJIFGXOPP-UHFFFAOYSA-N |
|
PDB codes |
6HO3 |
|
Type |
NON-POLYMER |
|
Chiral Atom Count |
0 |
|
Chiral Atoms |
n/a |
|
Bond Count |
47 |
|
Aromatic Bond Count |
12 |
|
Leaving Atoms |
n/a |