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EB2

Summary
Name:N-cycloheptyl-1-ethyl-2-oxo-1,2-dihydrobenzo[cd]indole-6-sulfonamide
Formula:C20 H24 N2 O3 S
Formal charge:0
Formula weight:372.481 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01N-cycloheptyl-1-ethyl-2-oxo-1,2-dihydrobenzo[cd]indole-6-sulfonamide
OpenEye OEToolkits1.9.2N-cycloheptyl-1-ethyl-2-oxidanylidene-benzo[cd]indole-6-sulfonamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01C1CCCCCC1NS(=O)(c2c4c3c(cc2)N(C(c3ccc4)=O)CC)=O
InChIInChI1.03InChI=1S/C20H24N2O3S/c1-2-22-17-12-13-18(15-10-7-11-16(19(15)17)20(22)23)26(24,25)21-14-8-5-3-4-6-9-14/h7,10-14,21H,2-6,8-9H2,1H3
InChIKeyInChI1.03TWESOBGJQLUFED-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CCN1C(=O)c2cccc3c(ccc1c23)[S](=O)(=O)NC4CCCCCC4
SMILESCACTVS3.385CCN1C(=O)c2cccc3c(ccc1c23)[S](=O)(=O)NC4CCCCCC4
SMILES_CANONICALOpenEye OEToolkits1.9.2CCN1c2ccc(c3c2c(ccc3)C1=O)S(=O)(=O)NC4CCCCCC4
SMILESOpenEye OEToolkits1.9.2CCN1c2ccc(c3c2c(ccc3)C1=O)S(=O)(=O)NC4CCCCCC4

218853

PDB entries from 2024-04-24

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