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

4KC

Summary
Name:4-(3,4-dihydroisoquinolin-2(1H)-ylcarbonyl)benzenesulfonamide
Formula:C16 H16 N2 O3 S
Formal charge:0
Formula weight:316.375 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.014-(3,4-dihydroisoquinolin-2(1H)-ylcarbonyl)benzenesulfonamide
OpenEye OEToolkits1.9.24-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)benzenesulfonamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01c1cccc3c1CN(C(c2ccc(cc2)S(=O)(=O)N)=O)CC3
InChIInChI1.03InChI=1S/C16H16N2O3S/c17-22(20,21)15-7-5-13(6-8-15)16(19)18-10-9-12-3-1-2-4-14(12)11-18/h1-8H,9-11H2,(H2,17,20,21)
InChIKeyInChI1.03FNPLXMFGUKXYIB-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385N[S](=O)(=O)c1ccc(cc1)C(=O)N2CCc3ccccc3C2
SMILESCACTVS3.385N[S](=O)(=O)c1ccc(cc1)C(=O)N2CCc3ccccc3C2
SMILES_CANONICALOpenEye OEToolkits1.9.2c1ccc2c(c1)CCN(C2)C(=O)c3ccc(cc3)S(=O)(=O)N
SMILESOpenEye OEToolkits1.9.2c1ccc2c(c1)CCN(C2)C(=O)c3ccc(cc3)S(=O)(=O)N

223532

PDB entries from 2024-08-07

PDB statisticsPDBj update infoContact PDBjnumon