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A7I

Summary
Name:5-CHLORO-THIOPHENE-2-CARBOXYLIC ACID [2-(1--ISOPROPYL-PIPERIDIN-4-YLSULFAMOYL)-ETHYL]-AMIDE
Formula:C15 H24 Cl N3 O3 S2
Formal charge:0
Formula weight:393.952 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs12.015-chloro-N-(2-{[1-(1-methylethyl)piperidin-4-yl]sulfamoyl}ethyl)thiophene-2-carboxamide
OpenEye OEToolkits1.7.25-chloranyl-N-[2-[(1-propan-2-ylpiperidin-4-yl)sulfamoyl]ethyl]thiophene-2-carboxamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(NCCS(=O)(=O)NC1CCN(C(C)C)CC1)c2sc(Cl)cc2
InChIInChI1.03InChI=1S/C15H24ClN3O3S2/c1-11(2)19-8-5-12(6-9-19)18-24(21,22)10-7-17-15(20)13-3-4-14(16)23-13/h3-4,11-12,18H,5-10H2,1-2H3,(H,17,20)
InChIKeyInChI1.03XIOBNAKYNXSFFO-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.370CC(C)N1CCC(CC1)N[S](=O)(=O)CCNC(=O)c2sc(Cl)cc2
SMILESCACTVS3.370CC(C)N1CCC(CC1)N[S](=O)(=O)CCNC(=O)c2sc(Cl)cc2
SMILES_CANONICALOpenEye OEToolkits1.7.2CC(C)N1CCC(CC1)NS(=O)(=O)CCNC(=O)c2ccc(s2)Cl
SMILESOpenEye OEToolkits1.7.2CC(C)N1CCC(CC1)NS(=O)(=O)CCNC(=O)c2ccc(s2)Cl

218853

PDB entries from 2024-04-24

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