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8LL

Summary
Name:5-(dimethylamino)-~{N}-[2-(2-hexoxyethoxy)ethyl]naphthalene-1-sulfonamide
Formula:C22 H34 N2 O4 S
Formal charge:0
Formula weight:422.581 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.65-(dimethylamino)-~{N}-[2-(2-hexoxyethoxy)ethyl]naphthalene-1-sulfonamide

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C22H34N2O4S/c1-4-5-6-7-15-27-17-18-28-16-14-23-29(25,26)22-13-9-10-19-20(22)11-8-12-21(19)24(2)3/h8-13,23H,4-7,14-18H2,1-3H3
InChIKeyInChI1.03ZQDZHRAPTBKCCR-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CCCCCCOCCOCCN[S](=O)(=O)c1cccc2c(cccc12)N(C)C
SMILESCACTVS3.385CCCCCCOCCOCCN[S](=O)(=O)c1cccc2c(cccc12)N(C)C
SMILES_CANONICALOpenEye OEToolkits2.0.6CCCCCCOCCOCCNS(=O)(=O)c1cccc2c1cccc2N(C)C
SMILESOpenEye OEToolkits2.0.6CCCCCCOCCOCCNS(=O)(=O)c1cccc2c1cccc2N(C)C

223166

PDB entries from 2024-07-31

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