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LS4

Summary
Name:4-{[(2-OXO-1,2-DIHYDRO-3H-INDOL-3-YLIDENE)METHYL]AMINO}-N-(1,3-THIAZOL-2-YL)BENZENESULFONAMIDE
Formula:C18 H14 N4 O3 S2
Formal charge:0
Formula weight:398.459 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.044-{[(Z)-(2-oxo-1,2-dihydro-3H-indol-3-ylidene)methyl]amino}-N-1,3-thiazol-2-ylbenzenesulfonamide
OpenEye OEToolkits1.5.04-[[(Z)-(2-oxo-1H-indol-3-ylidene)methyl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=S(=O)(Nc1nccs1)c4ccc(N/C=C3/c2ccccc2NC3=O)cc4
SMILES_CANONICALCACTVS3.341O=C\1Nc2ccccc2C\1=C/Nc3ccc(cc3)[S](=O)(=O)Nc4sccn4
SMILESCACTVS3.341O=C1Nc2ccccc2C1=CNc3ccc(cc3)[S](=O)(=O)Nc4sccn4
SMILES_CANONICALOpenEye OEToolkits1.5.0c1ccc2c(c1)/C(=C/Nc3ccc(cc3)S(=O)(=O)Nc4nccs4)/C(=O)N2
SMILESOpenEye OEToolkits1.5.0c1ccc2c(c1)C(=CNc3ccc(cc3)S(=O)(=O)Nc4nccs4)C(=O)N2
InChIInChI1.03InChI=1S/C18H14N4O3S2/c23-17-15(14-3-1-2-4-16(14)21-17)11-20-12-5-7-13(8-6-12)27(24,25)22-18-19-9-10-26-18/h1-11,20H,(H,19,22)(H,21,23)/b15-11-
InChIKeyInChI1.03BOMPRXSVSIPRDT-PTNGSMBKSA-N

224931

PDB entries from 2024-09-11

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