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4MD

Summary
Name:N-(4-chlorobenzyl)-N-methylbenzene-1,4-disulfonamide
Formula:C14 H15 Cl N2 O4 S2
Formal charge:0
Formula weight:374.863 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.04N-(4-chlorobenzyl)-N-methylbenzene-1,4-disulfonamide
OpenEye OEToolkits1.5.0N-[(4-chlorophenyl)methyl]-N-methyl-benzene-1,4-disulfonamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04Clc1ccc(cc1)CN(C)S(=O)(=O)c2ccc(cc2)S(=O)(=O)N
SMILES_CANONICALCACTVS3.341CN(Cc1ccc(Cl)cc1)[S](=O)(=O)c2ccc(cc2)[S](N)(=O)=O
SMILESCACTVS3.341CN(Cc1ccc(Cl)cc1)[S](=O)(=O)c2ccc(cc2)[S](N)(=O)=O
SMILES_CANONICALOpenEye OEToolkits1.5.0C[N@@](Cc1ccc(cc1)Cl)S(=O)(=O)c2ccc(cc2)S(=O)(=O)N
SMILESOpenEye OEToolkits1.5.0CN(Cc1ccc(cc1)Cl)S(=O)(=O)c2ccc(cc2)S(=O)(=O)N
InChIInChI1.03InChI=1S/C14H15ClN2O4S2/c1-17(10-11-2-4-12(15)5-3-11)23(20,21)14-8-6-13(7-9-14)22(16,18)19/h2-9H,10H2,1H3,(H2,16,18,19)
InChIKeyInChI1.03IPPUTOHDQOYDIL-UHFFFAOYSA-N

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PDB entries from 2026-02-04

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