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

WWV

Summary
Name:4-({[2-(1-methylethyl)phenyl]carbamoyl}amino)benzenesulfonamide
Formula:C16 H19 N3 O3 S
Formal charge:0
Formula weight:333.405 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.014-({[2-(propan-2-yl)phenyl]carbamoyl}amino)benzenesulfonamide
OpenEye OEToolkits1.7.01-(2-propan-2-ylphenyl)-3-(4-sulfamoylphenyl)urea

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=S(=O)(N)c2ccc(NC(=O)Nc1ccccc1C(C)C)cc2
SMILES_CANONICALCACTVS3.370CC(C)c1ccccc1NC(=O)Nc2ccc(cc2)[S](N)(=O)=O
SMILESCACTVS3.370CC(C)c1ccccc1NC(=O)Nc2ccc(cc2)[S](N)(=O)=O
SMILES_CANONICALOpenEye OEToolkits1.7.0CC(C)c1ccccc1NC(=O)Nc2ccc(cc2)S(=O)(=O)N
SMILESOpenEye OEToolkits1.7.0CC(C)c1ccccc1NC(=O)Nc2ccc(cc2)S(=O)(=O)N
InChIInChI1.03InChI=1S/C16H19N3O3S/c1-11(2)14-5-3-4-6-15(14)19-16(20)18-12-7-9-13(10-8-12)23(17,21)22/h3-11H,1-2H3,(H2,17,21,22)(H2,18,19,20)
InChIKeyInChI1.03NCAVVYYIUQIEED-UHFFFAOYSA-N

222415

数据于2024-07-10公开中

PDB statisticsPDBj update infoContact PDBjnumon