The Biofilms Structural Database
Name
4-[2-(phenylsulfonylaminomethyl)-1,3-thiazol-4-yl]-~{N}-[3,3,3-tris(fluoranyl)propyl]benzamide
Molecular Weight
469.5
Isomeric SMILES
c1ccc(cc1)S(=O)(=O)NCc2nc(cs2)c3ccc(cc3)C(=O)NCCC(F)(F)F
Formula
C20H18F3N3O3S2
Identifiers
Formal Charge
0
InChI
InChI=1S/C20H18F3N3O3S2/c21-20(22,23)10-11-24-19(27)15-8-6-14(7-9-15)17-13-30-18(26-17)12-25-31(28,29)16-4-2-1-3-5-16/h1-9,13,25H,10-12H2,(H,24,27)
Atom Count
49
InChIKey
WQGRXKYBROIBEJ-UHFFFAOYSA-N
PDB codes
6HOF
Type
NON-POLYMER
Chiral Atom Count
Chiral Atoms
n/a
Bond Count
51
Aromatic Bond Count
17
Leaving Atoms