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A1H17

Summary
Name:5-[[3,4-bis(chloranyl)-1~{H}-indol-7-yl]sulfamoyl]-~{N},~{N},3-trimethyl-furan-2-carboxamide;ethane
Formula:C16 H15 Cl2 N3 O4 S
Formal charge:0
Formula weight:416.279 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.75-[[3,4-bis(chloranyl)-1~{H}-indol-7-yl]sulfamoyl]-~{N},~{N},3-trimethyl-furan-2-carboxamide

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.06InChI=1S/C16H15Cl2N3O4S/c1-8-6-12(25-15(8)16(22)21(2)3)26(23,24)20-11-5-4-9(17)13-10(18)7-19-14(11)13/h4-7,19-20H,1-3H3
InChIKeyInChI1.06XQZSOWNOTOQJFP-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CN(C)C(=O)c1oc(cc1C)[S](=O)(=O)Nc2ccc(Cl)c3c(Cl)c[nH]c23
SMILESCACTVS3.385CN(C)C(=O)c1oc(cc1C)[S](=O)(=O)Nc2ccc(Cl)c3c(Cl)c[nH]c23
SMILES_CANONICALOpenEye OEToolkits2.0.7Cc1cc(oc1C(=O)N(C)C)S(=O)(=O)Nc2ccc(c3c2[nH]cc3Cl)Cl
SMILESOpenEye OEToolkits2.0.7Cc1cc(oc1C(=O)N(C)C)S(=O)(=O)Nc2ccc(c3c2[nH]cc3Cl)Cl

224931

PDB entries from 2024-09-11

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