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R2S

Summary
Name:N-(6-chloro-1,3-benzothiazol-2-yl)-1-benzothiophene-2-sulfonamide
Formula:C15 H9 Cl N2 O2 S3
Formal charge:0
Formula weight:380.892 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01N-(6-chloro-1,3-benzothiazol-2-yl)-1-benzothiophene-2-sulfonamide
OpenEye OEToolkits1.7.6N-(6-chloranyl-1,3-benzothiazol-2-yl)-1-benzothiophene-2-sulfonamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=S(=O)(c1sc2ccccc2c1)Nc3nc4ccc(Cl)cc4s3
InChIInChI1.03InChI=1S/C15H9ClN2O2S3/c16-10-5-6-11-13(8-10)22-15(17-11)18-23(19,20)14-7-9-3-1-2-4-12(9)21-14/h1-8H,(H,17,18)
InChIKeyInChI1.03MZAVPBQCWWIYEQ-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385Clc1ccc2nc(N[S](=O)(=O)c3sc4ccccc4c3)sc2c1
SMILESCACTVS3.385Clc1ccc2nc(N[S](=O)(=O)c3sc4ccccc4c3)sc2c1
SMILES_CANONICALOpenEye OEToolkits1.7.6c1ccc2c(c1)cc(s2)S(=O)(=O)Nc3nc4ccc(cc4s3)Cl
SMILESOpenEye OEToolkits1.7.6c1ccc2c(c1)cc(s2)S(=O)(=O)Nc3nc4ccc(cc4s3)Cl

224931

PDB entries from 2024-09-11

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