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A1IVC

Summary
Name:N4-(3-chloranyl-2-piperidin-1-yl-phenyl)-N1,N1-dimethyl-benzene-1,4-disulfonamide
Formula:C19 H24 Cl N3 O4 S2
Formal charge:0
Formula weight:457.995 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.7~{N}4-(3-chloranyl-2-piperidin-1-yl-phenyl)-~{N}1,~{N}1-dimethyl-benzene-1,4-disulfonamide

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.06InChI=1S/C19H24ClN3O4S2/c1-22(2)29(26,27)16-11-9-15(10-12-16)28(24,25)21-18-8-6-7-17(20)19(18)23-13-4-3-5-14-23/h6-12,21H,3-5,13-14H2,1-2H3
InChIKeyInChI1.06YPPWKTIVYUTTEH-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CN(C)[S](=O)(=O)c1ccc(cc1)[S](=O)(=O)Nc2cccc(Cl)c2N3CCCCC3
SMILESCACTVS3.385CN(C)[S](=O)(=O)c1ccc(cc1)[S](=O)(=O)Nc2cccc(Cl)c2N3CCCCC3
SMILES_CANONICALOpenEye OEToolkits2.0.7CN(C)S(=O)(=O)c1ccc(cc1)S(=O)(=O)Nc2cccc(c2N3CCCCC3)Cl
SMILESOpenEye OEToolkits2.0.7CN(C)S(=O)(=O)c1ccc(cc1)S(=O)(=O)Nc2cccc(c2N3CCCCC3)Cl

248942

PDB entries from 2026-02-11

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