Loading
PDBj
MenuPDBj@FacebookPDBj@TwitterPDBj@YouTubewwPDB FoundationwwPDB
RCSB PDBPDBeBMRBAdv. SearchSearch help

EB5

Summary
Name:N,1-diethyl-2-oxo-1,2-dihydrobenzo[cd]indole-6-sulfonamide
Formula:C15 H16 N2 O3 S
Formal charge:0
Formula weight:304.364 Da
Component type:NON-POLYMER

Chemical Identifiers

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

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01CCNS(=O)(c2ccc1N(C(c3c1c2ccc3)=O)CC)=O
InChIInChI1.03InChI=1S/C15H16N2O3S/c1-3-16-21(19,20)13-9-8-12-14-10(13)6-5-7-11(14)15(18)17(12)4-2/h5-9,16H,3-4H2,1-2H3
InChIKeyInChI1.03AQNBGQLJCYVCBR-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CCN[S](=O)(=O)c1ccc2N(CC)C(=O)c3cccc1c23
SMILESCACTVS3.385CCN[S](=O)(=O)c1ccc2N(CC)C(=O)c3cccc1c23
SMILES_CANONICALOpenEye OEToolkits1.9.2CCNS(=O)(=O)c1ccc2c3c1cccc3C(=O)N2CC
SMILESOpenEye OEToolkits1.9.2CCNS(=O)(=O)c1ccc2c3c1cccc3C(=O)N2CC

222415

数据于2024-07-10公开中

PDB statisticsPDBj update infoContact PDBjnumon