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E0A

Summary
Name:N-(1-ethyl-2-oxo-1,2-dihydrobenzo[cd]indol-6-yl)butane-1-sulfonamide
Formula:C17 H20 N2 O3 S
Formal charge:0
Formula weight:332.417 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01N-(1-ethyl-2-oxo-1,2-dihydrobenzo[cd]indol-6-yl)butane-1-sulfonamide
OpenEye OEToolkits1.9.2N-(1-ethyl-2-oxidanylidene-benzo[cd]indol-6-yl)butane-1-sulfonamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01CCCCS(Nc1c3c2c(cc1)N(C(c2ccc3)=O)CC)(=O)=O
InChIInChI1.03InChI=1S/C17H20N2O3S/c1-3-5-11-23(21,22)18-14-9-10-15-16-12(14)7-6-8-13(16)17(20)19(15)4-2/h6-10,18H,3-5,11H2,1-2H3
InChIKeyInChI1.03JUHZCNLGDKZRME-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CCCC[S](=O)(=O)Nc1ccc2N(CC)C(=O)c3cccc1c23
SMILESCACTVS3.385CCCC[S](=O)(=O)Nc1ccc2N(CC)C(=O)c3cccc1c23
SMILES_CANONICALOpenEye OEToolkits1.9.2CCCCS(=O)(=O)Nc1ccc2c3c1cccc3C(=O)N2CC
SMILESOpenEye OEToolkits1.9.2CCCCS(=O)(=O)Nc1ccc2c3c1cccc3C(=O)N2CC

225946

PDB entries from 2024-10-09

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