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A1CDH

Summary
Name:N'-(1-benzothiophene-2-sulfonyl)-5-ethoxy-2-fluoro-3-methylbenzohydrazide
Formula:C18 H17 F N2 O4 S2
Formal charge:0
Formula weight:408.467 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs14.52N'-(1-benzothiophene-2-sulfonyl)-5-ethoxy-2-fluoro-3-methylbenzohydrazide
OpenEye OEToolkits3.1.0.0~{N}'-(1-benzothiophen-2-ylsulfonyl)-5-ethoxy-2-fluoranyl-3-methyl-benzohydrazide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs14.52CCOc1cc(c(F)c(C)c1)C(=O)NNS(=O)(=O)c1cc2ccccc2s1
InChIInChI1.06InChI=1S/C18H17FN2O4S2/c1-3-25-13-8-11(2)17(19)14(10-13)18(22)20-21-27(23,24)16-9-12-6-4-5-7-15(12)26-16/h4-10,21H,3H2,1-2H3,(H,20,22)
InChIKeyInChI1.06ATDWYIIZUHCMTR-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CCOc1cc(C)c(F)c(c1)C(=O)NN[S](=O)(=O)c2sc3ccccc3c2
SMILESCACTVS3.385CCOc1cc(C)c(F)c(c1)C(=O)NN[S](=O)(=O)c2sc3ccccc3c2
SMILES_CANONICALOpenEye OEToolkits3.1.0.0CCOc1cc(c(c(c1)C(=O)NNS(=O)(=O)c2cc3ccccc3s2)F)C
SMILESOpenEye OEToolkits3.1.0.0CCOc1cc(c(c(c1)C(=O)NNS(=O)(=O)c2cc3ccccc3s2)F)C

250359

PDB entries from 2026-03-11

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