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E0C

Summary
Name:5-bromo-N-(1-ethyl-2-oxo-1,2-dihydrobenzo[cd]indol-6-yl)-2-methoxybenzenesulfonamide
Formula:C20 H17 Br N2 O4 S
Formal charge:0
Formula weight:461.329 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.015-bromo-N-(1-ethyl-2-oxo-1,2-dihydrobenzo[cd]indol-6-yl)-2-methoxybenzenesulfonamide
OpenEye OEToolkits1.9.25-bromanyl-N-(1-ethyl-2-oxidanylidene-benzo[cd]indol-6-yl)-2-methoxy-benzenesulfonamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01CCN2C(=O)c1c3c(ccc1)c(ccc23)NS(=O)(=O)c4cc(Br)ccc4OC
InChIInChI1.03InChI=1S/C20H17BrN2O4S/c1-3-23-16-9-8-15(13-5-4-6-14(19(13)16)20(23)24)22-28(25,26)18-11-12(21)7-10-17(18)27-2/h4-11,22H,3H2,1-2H3
InChIKeyInChI1.03JTOXINSTQFVILZ-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CCN1C(=O)c2cccc3c(N[S](=O)(=O)c4cc(Br)ccc4OC)ccc1c23
SMILESCACTVS3.385CCN1C(=O)c2cccc3c(N[S](=O)(=O)c4cc(Br)ccc4OC)ccc1c23
SMILES_CANONICALOpenEye OEToolkits1.9.2CCN1c2ccc(c3c2c(ccc3)C1=O)NS(=O)(=O)c4cc(ccc4OC)Br
SMILESOpenEye OEToolkits1.9.2CCN1c2ccc(c3c2c(ccc3)C1=O)NS(=O)(=O)c4cc(ccc4OC)Br

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PDB entries from 2024-07-10

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