(E)-N,N-dibenzyl-2-phenylethenesulfonamide

This is a physical chemical entity[CHEBI_24431] associated with a molecule[CHEBI_25367].
The molecule[CHEBI_25367] can be described by the following structural desciptors[cheminf_000085]:
InChI descriptor[cheminf_000113]: InChI=1S/C22H21NO2S/c24-26(25,17-16-20-10-4-1-5-11-20)23(18-21-12-6-2-7-13-21)19-22-14-8-3-9-15-22/h1-17H,18-19H2/b17-16+, and canonical SMILES descriptor[cheminf_000007]: O=S(=O)(N(Cc1ccccc1)Cc1ccccc1)/C=C/c1ccccc1, and by the IUPAC name[cheminf_000107]: .

The physical chemical entity[CHEBI_24431] has a component solvent[CHEBI_46787] which is described by the canonical SMILES descriptor[cheminf_000007]:

The physical chemical entity[CHEBI_24431] has the following Sample ID as registered in the research data repository chemotion (www.chemotion-repository.net, https://doi.org/10.25504/FAIRsharing.iagXcR): CRS-55347

The physical chemical entity[CHEBI_24431] can be described by the physical descriptors [CHEMINF_000025]:
Melting point descriptor[CHEMINF_000256]:
Boiling point descriptor[CHEMINF_000257]:
Refractive index descriptor[CHEMINF_000253]:

The physical chemical entity[CHEBI_24431] can be further described by the following assays[OBI:0000070][CHMO:0001133]:

CHMO:0000593 | 1H nuclear magnetic resonance spectroscopy (1H NMR)

CHMO:0000595 | 13C nuclear magnetic resonance spectroscopy (13C NMR)

CHMO:0000763 | attenuated total reflectance Fourier transform infrared spectroscopy (ATR-FTIR)

CHMO:0000470 | mass spectrometry (MS)

The physical chemical entity[CHEBI_24431] was deposited to the Molecule Archive of the Karlsruhe Insitute of Technology (KIT) with the following Sample ID:

Used ontologies:
CHEBI - Chemical Entities of Biological Interest
CHEMINF - chemical information ontology (information entities about chemical entities)
CHMO - Chemical Methods Ontology
OBI - Ontology for Biomedical Investigations

本数据集对应一种与分子[CHEBI_25367]相关联的物理化学实体[CHEBI_24431]。
该分子[CHEBI_25367]可通过以下结构描述符[CHEMINF_000085]进行表征：
InChI描述符[CHEMINF_000113]：InChI=1S/C22H21NO2S/c24-26(25,17-16-20-10-4-1-5-11-20)23(18-21-12-6-2-7-13-21)19-22-14-8-3-9-15-22/h1-17H,18-19H2/b17-16+，标准SMILES描述符[CHEMINF_000007]：O=S(=O)(N(Cc1ccccc1)Cc1ccccc1)/C=C/c1ccccc1，同时可通过IUPAC命名[CHEMINF_000107]标识：。

该物理化学实体[CHEBI_24431]包含组分溶剂[CHEBI_46787]，其可通过标准SMILES描述符[CHEMINF_000007]表征：。

该物理化学实体[CHEBI_24431]已在科研数据仓库chemotion（www.chemotion-repository.net，https://doi.org/10.25504/FAIRsharing.iagXcR）中登记，样本编号为CRS-55347。

该物理化学实体[CHEBI_24431]可通过以下物理描述符[CHEMINF_000025]表征：
熔点描述符[CHEMINF_000256]：
沸点描述符[CHEMINF_000257]：
折射率描述符[CHEMINF_000253]：

该物理化学实体[CHEBI_24431]还可通过以下分析表征实验[OBI:0000070][CHMO:0001133]进行表征：
CHMO:0000593 | 1H核磁共振波谱法（1H NMR）
CHMO:0000595 | 13C核磁共振波谱法（13C NMR）
CHMO:0000763 | 衰减全反射傅里叶变换红外光谱法（ATR-FTIR）
CHMO:0000470 | 质谱法（MS）

该物理化学实体[CHEBI_24431]已被存入卡尔斯鲁厄理工学院（Karlsruhe Institute of Technology, KIT）的分子档案库，样本编号如下：。

所用本体包括：
CHEBI：生物兴趣化学实体（Chemical Entities of Biological Interest）
CHEMINF：化学信息本体（chemical information ontology，即关于化学实体的信息实体）
CHMO：化学方法本体（Chemical Methods Ontology）
OBI：生物调查本体（Ontology for Biomedical Investigations）