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NX3

Summary
Name:N-[(3-aminophenyl)sulfonyl]-3-[(3,4-dichlorobenzyl)sulfanyl]thiophene-2-carboxamide
Formula:C18 H14 Cl2 N2 O3 S3
Formal charge:0
Formula weight:473.416 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01N-[(3-aminophenyl)sulfonyl]-3-[(3,4-dichlorobenzyl)sulfanyl]thiophene-2-carboxamide
OpenEye OEToolkits1.7.0N-(3-aminophenyl)sulfonyl-3-[(3,4-dichlorophenyl)methylsulfanyl]thiophene-2-carboxamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=S(=O)(c1cc(N)ccc1)NC(=O)c3sccc3SCc2cc(Cl)c(Cl)cc2
SMILES_CANONICALCACTVS3.370Nc1cccc(c1)[S](=O)(=O)NC(=O)c2sccc2SCc3ccc(Cl)c(Cl)c3
SMILESCACTVS3.370Nc1cccc(c1)[S](=O)(=O)NC(=O)c2sccc2SCc3ccc(Cl)c(Cl)c3
SMILES_CANONICALOpenEye OEToolkits1.7.0c1cc(cc(c1)S(=O)(=O)NC(=O)c2c(ccs2)SCc3ccc(c(c3)Cl)Cl)N
SMILESOpenEye OEToolkits1.7.0c1cc(cc(c1)S(=O)(=O)NC(=O)c2c(ccs2)SCc3ccc(c(c3)Cl)Cl)N
InChIInChI1.03InChI=1S/C18H14Cl2N2O3S3/c19-14-5-4-11(8-15(14)20)10-27-16-6-7-26-17(16)18(23)22-28(24,25)13-3-1-2-12(21)9-13/h1-9H,10,21H2,(H,22,23)
InChIKeyInChI1.03FLQMGJTZJKTWPI-UHFFFAOYSA-N

223532

PDB entries from 2024-08-07

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