Loading
PDBj
English日本語简体中文繁體中文한국어
✖
MenuPDBj@FacebookPDBj@X(formerly Twitter)PDBj@BlueSkyPDBj@YouTubewwPDB FoundationwwPDBDonate
RCSB PDBPDBeBMRBAdv. SearchSearch help
SummaryGeometryRelated PDB entries

T18

Summary
Name:N-{3-[6-fluoro-1-(4-fluorobenzyl)-4-hydroxy-2-oxo-1,2-dihydroquinolin-3-yl]-1,1-dioxido-4H-1,4-benzothiazin-7-yl}methanesulfonamide
Formula:C25 H19 F2 N3 O6 S2
Formal charge:0
Formula weight:559.562 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.04N-{3-[6-fluoro-1-(4-fluorobenzyl)-4-hydroxy-2-oxo-1,2-dihydroquinolin-3-yl]-1,1-dioxido-4H-1,4-benzothiazin-7-yl}methanesulfonamide
OpenEye OEToolkits1.5.0N-[3-[6-fluoro-1-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-quinolin-3-yl]-1,1-dioxo-4H-benzo[b][1,4]thiazin-7-yl]methanesulfonamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04Fc1ccc(cc1)CN4c5ccc(F)cc5C(O)=C(C=3Nc2c(cc(cc2)NS(=O)(=O)C)S(=O)(=O)C=3)C4=O
SMILES_CANONICALCACTVS3.341C[S](=O)(=O)Nc1ccc2NC(=C[S](=O)(=O)c2c1)C3=C(O)c4cc(F)ccc4N(Cc5ccc(F)cc5)C3=O
SMILESCACTVS3.341C[S](=O)(=O)Nc1ccc2NC(=C[S](=O)(=O)c2c1)C3=C(O)c4cc(F)ccc4N(Cc5ccc(F)cc5)C3=O
SMILES_CANONICALOpenEye OEToolkits1.5.0CS(=O)(=O)Nc1ccc2c(c1)S(=O)(=O)C=C(N2)C3=C(c4cc(ccc4N(C3=O)Cc5ccc(cc5)F)F)O
SMILESOpenEye OEToolkits1.5.0CS(=O)(=O)Nc1ccc2c(c1)S(=O)(=O)C=C(N2)C3=C(c4cc(ccc4N(C3=O)Cc5ccc(cc5)F)F)O
InChIInChI1.03InChI=1S/C25H19F2N3O6S2/c1-37(33,34)29-17-7-8-19-22(11-17)38(35,36)13-20(28-19)23-24(31)18-10-16(27)6-9-21(18)30(25(23)32)12-14-2-4-15(26)5-3-14/h2-11,13,28-29,31H,12H2,1H3
InChIKeyInChI1.03SNCZSOMZWKLZNB-UHFFFAOYSA-N

246704

PDB entries from 2025-12-24

PDB statisticsPDBj update infoContact PDBjnumon