5-(Ethylsulfonyl)-2-[(3S)-1-(1H-indol-3-ylmethyl)-3-pyrrolidinyl]-1,3-benzoxazole

enlarge

Systematic / IUPAC Name: 5-Ethylsulfonyl-2-[(3S)-1-(1H-indol-3-ylmethyl)pyrrolidin-3-yl]-1,3-benzoxazole

ID: Reference9988

Other Names: Benzoxazole, 5-(ethylsulfonyl)-2-[(3S)-1-(1H-indol-3-ylmethyl)-3-pyrrolidinyl]-;
NAT31-458098

Formula: C22H23N3O3S

Spectral Data

5-(Ethylsulfonyl)-2-[(3S)-1-(1H-indol-3-ylmethyl)-3-pyrrolidinyl]-1,3-benzoxazole mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

View Mass Spectra

Available MS Data

Used Instruments Orbitrap Fusion Lumos with ETD LBP
No. of Spectral Trees 2
No. of Spectra 2711
Tandem Spectra MS1, MS2, MS3, MS4, MS5, MS6
Ionization Methods NSI
Analyzers FT
Last Modification 10/15/2020 10:17:21 AM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C22H23N3O3S/c1-2-29(26,27)17-7-8-21-20(11-17)24-22(28-21)15-9-10-25(13-15)14-16-12-23-19-6-4-3-5-18(16)19/h3-8,11-12,15,23H,2,9-10,13-14H2,1H3/t15-/m0/s1
InChI Key ZAXWVOKOUBNIOI-HNNXBMFYSA-N
Canonical SMILES CCS(=O)(=O)C1=CC2=C(C=C1)OC(=N2)C3CCN(C3)CC4=CNC5=CC=CC=C54
CAS
Splash
Other Names Benzoxazole, 5-(ethylsulfonyl)-2-[(3S)-1-(1H-indol-3-ylmethyl)-3-pyrrolidinyl]-;
NAT31-458098

In Other Databases

PubChem 51137137
ChemSpider 29850157