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5IL

Summary
Name:5,8-bis(oxidanylidene)-7-[(2-piperazin-1-ylphenyl)amino]naphthalene-1-sulfonamide
Formula:C20 H20 N4 O4 S
Formal charge:0
Formula weight:412.462 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.75,8-bis(oxidanylidene)-7-[(2-piperazin-1-ylphenyl)amino]naphthalene-1-sulfonamide

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C20H20N4O4S/c21-29(27,28)18-7-3-4-13-17(25)12-15(20(26)19(13)18)23-14-5-1-2-6-16(14)24-10-8-22-9-11-24/h1-7,12,22-23H,8-11H2,(H2,21,27,28)
InChIKeyInChI1.03JAMVFKPFIUKEMG-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385N[S](=O)(=O)c1cccc2C(=O)C=C(Nc3ccccc3N4CCNCC4)C(=O)c12
SMILESCACTVS3.385N[S](=O)(=O)c1cccc2C(=O)C=C(Nc3ccccc3N4CCNCC4)C(=O)c12
SMILES_CANONICALOpenEye OEToolkits2.0.7c1ccc(c(c1)NC2=CC(=O)c3cccc(c3C2=O)S(=O)(=O)N)N4CCNCC4
SMILESOpenEye OEToolkits2.0.7c1ccc(c(c1)NC2=CC(=O)c3cccc(c3C2=O)S(=O)(=O)N)N4CCNCC4

218853

PDB entries from 2024-04-24

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