94J

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Summary

Name:N,N'-(pentane-1,5-diyldicarbamoyl)bis(3-chlorobenzene-1-sulfonamide)
Formula:C19 H22 Cl2 N4 O6 S2
Formal charge:0
Molecular weight:537.437 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01N,N'-(pentane-1,5-diyldicarbamoyl)bis(3-chlorobenzene-1-sulfonamide)
OpenEye OEToolkits2.0.61-(3-chlorophenyl)sulfonyl-3-[5-[(3-chlorophenyl)sulfonylcarbamoylamino]pentyl]urea

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01C(=O)(NCCCCCNC(=O)NS(c1cccc(c1)Cl)(=O)=O)NS(c2cc(Cl)ccc2)(=O)=O
InChIInChI1.03InChI=1S/C19H22Cl2N4O6S2/c20-14-6-4-8-16(12-14)32(28,29)24-18(26)22-10-2-1-3-11-23-19(27)25-33(30,31)17-9-5-7-15(21)13-17/h4-9,12-13H,1-3,10-11H2,(H2,22,24,26)(H2,23,25,27)
InChIKeyInChI1.03XAVDNDBFEDIDHP-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385Clc1cccc(c1)[S](=O)(=O)NC(=O)NCCCCCNC(=O)N[S](=O)(=O)c2cccc(Cl)c2
SMILESCACTVS3.385Clc1cccc(c1)[S](=O)(=O)NC(=O)NCCCCCNC(=O)N[S](=O)(=O)c2cccc(Cl)c2
SMILES_CANONICALOpenEye OEToolkits2.0.6c1cc(cc(c1)Cl)S(=O)(=O)NC(=O)NCCCCCNC(=O)NS(=O)(=O)c2cccc(c2)Cl
SMILESOpenEye OEToolkits2.0.6c1cc(cc(c1)Cl)S(=O)(=O)NC(=O)NCCCCCNC(=O)NS(=O)(=O)c2cccc(c2)Cl
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