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T3U

Summary
Name:4-(4-chloranyl-3-pyrazin-2-yloxy-phenyl)-~{N}-(dimethylsulfamoyl)-7-methyl-1~{H}-indole-6-carboxamide
Formula:C22 H20 Cl N5 O4 S
Formal charge:0
Formula weight:485.943 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.74-(4-chloranyl-3-pyrazin-2-yloxy-phenyl)-~{N}-(dimethylsulfamoyl)-7-methyl-1~{H}-indole-6-carboxamide

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.06InChI=1S/C22H20ClN5O4S/c1-13-16(22(29)27-33(30,31)28(2)3)11-17(15-6-7-26-21(13)15)14-4-5-18(23)19(10-14)32-20-12-24-8-9-25-20/h4-12,26H,1-3H3,(H,27,29)
InChIKeyInChI1.06ZCEDSBRRQLSVCI-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CN(C)[S](=O)(=O)NC(=O)c1cc(c2ccc(Cl)c(Oc3cnccn3)c2)c4cc[nH]c4c1C
SMILESCACTVS3.385CN(C)[S](=O)(=O)NC(=O)c1cc(c2ccc(Cl)c(Oc3cnccn3)c2)c4cc[nH]c4c1C
SMILES_CANONICALOpenEye OEToolkits2.0.7Cc1c(cc(c2c1[nH]cc2)c3ccc(c(c3)Oc4cnccn4)Cl)C(=O)NS(=O)(=O)N(C)C
SMILESOpenEye OEToolkits2.0.7Cc1c(cc(c2c1[nH]cc2)c3ccc(c(c3)Oc4cnccn4)Cl)C(=O)NS(=O)(=O)N(C)C

224931

PDB entries from 2024-09-11

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