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

4A7

Summary
Name:2,4-dimethoxy-N-(1-methyl-2-oxo-1,2,3,4-tetrahydroquinolin-6-yl)benzenesulfonamide
Formula:C18 H20 N2 O5 S
Formal charge:0
Formula weight:376.427 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.012,4-dimethoxy-N-(1-methyl-2-oxo-1,2,3,4-tetrahydroquinolin-6-yl)benzenesulfonamide
OpenEye OEToolkits1.9.22,4-dimethoxy-N-(1-methyl-2-oxidanylidene-3,4-dihydroquinolin-6-yl)benzenesulfonamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=S(=O)(c1ccc(OC)cc1OC)Nc2ccc3c(c2)CCC(=O)N3C
InChIInChI1.03InChI=1S/C18H20N2O5S/c1-20-15-7-5-13(10-12(15)4-9-18(20)21)19-26(22,23)17-8-6-14(24-2)11-16(17)25-3/h5-8,10-11,19H,4,9H2,1-3H3
InChIKeyInChI1.03GVIOXIPLOUEGTN-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385COc1ccc(c(OC)c1)[S](=O)(=O)Nc2ccc3N(C)C(=O)CCc3c2
SMILESCACTVS3.385COc1ccc(c(OC)c1)[S](=O)(=O)Nc2ccc3N(C)C(=O)CCc3c2
SMILES_CANONICALOpenEye OEToolkits1.9.2CN1c2ccc(cc2CCC1=O)NS(=O)(=O)c3ccc(cc3OC)OC
SMILESOpenEye OEToolkits1.9.2CN1c2ccc(cc2CCC1=O)NS(=O)(=O)c3ccc(cc3OC)OC

222415

PDB entries from 2024-07-10

PDB statisticsPDBj update infoContact PDBjnumon