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ZZP

Summary
Name:N-(3-{[(1Z)-3,5-DIMETHOXYCYCLOHEXA-2,4-DIEN-1-YLIDENE]AMINO}QUINOXALIN-2-YL)-4-FLUOROBENZENESULFONAMIDE
Formula:C22 H19 F N4 O4 S
Formal charge:0
Formula weight:454.474 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.04N-(3-{[(1Z)-3,5-dimethoxycyclohexa-2,4-dien-1-ylidene]amino}quinoxalin-2-yl)-4-fluorobenzenesulfonamide
OpenEye OEToolkits1.6.1N-[3-[(3,5-dimethoxy-1-cyclohexa-2,4-dienylidene)amino]quinoxalin-2-yl]-4-fluoro-benzenesulfonamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04Fc1ccc(cc1)S(=O)(=O)Nc3nc4ccccc4nc3\N=C2/C=C(OC)C=C(OC)C2
SMILES_CANONICALCACTVS3.352COC1=CC(=CC(C1)=Nc2nc3ccccc3nc2N[S](=O)(=O)c4ccc(F)cc4)OC
SMILESCACTVS3.352COC1=CC(=CC(C1)=Nc2nc3ccccc3nc2N[S](=O)(=O)c4ccc(F)cc4)OC
SMILES_CANONICALOpenEye OEToolkits1.6.1COC1=CC(=C/C(=N\c2c(nc3ccccc3n2)NS(=O)(=O)c4ccc(cc4)F)/C1)OC
SMILESOpenEye OEToolkits1.6.1COC1=CC(=CC(=Nc2c(nc3ccccc3n2)NS(=O)(=O)c4ccc(cc4)F)C1)OC
InChIInChI1.03InChI=1S/C22H19FN4O4S/c1-30-16-11-15(12-17(13-16)31-2)24-21-22(26-20-6-4-3-5-19(20)25-21)27-32(28,29)18-9-7-14(23)8-10-18/h3-11,13H,12H2,1-2H3,(H,26,27)/b24-15+
InChIKeyInChI1.03WCHXKEIXBGDHMP-BUVRLJJBSA-N

218500

PDB entries from 2024-04-17

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