PNU-103017

Details

Stereochemistry	RACEMIC
Molecular Formula	C28H28N2O5S
Molecular Weight	504.597
Optical Activity	( + / - )
Defined Stereocenters	0 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

OC1=C(C(C2CC2)C3=CC=CC(NS(=O)(=O)C4=CC=C(C=C4)C#N)=C3)C(=O)OC5=C1CCCCCC5

InChI

InChIKey=VCYQENLVFRTJIC-UHFFFAOYSA-N

InChI=1S/C28H28N2O5S/c29-17-18-10-14-22(15-11-18)36(33,34)30-21-7-5-6-20(16-21)25(19-12-13-19)26-27(31)23-8-3-1-2-4-9-24(23)35-28(26)32/h5-7,10-11,14-16,19,25,30-31H,1-4,8-9,12-13H2

HIDE SMILES / InChI

Molecular Formula	C28H28N2O5S
Molecular Weight	504.597
Charge	0
Count

Stereochemistry	RACEMIC
Additional Stereochemistry	No
Defined Stereocenters	0 / 1
E/Z Centers	0
Optical Activity	( + / - )

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 18:02:55 GMT 2025` Edited by `admin` on `Mon Mar 31 18:02:55 GMT 2025`
Record UNII	7IW8T16KFS
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

PNU-103017

Code

English

PNU-103017, (±)-

Preferred Name

English

4-CYANO-N-(3-(CYCLOPROPYL(5,6,7,8,9,10-HEXAHYDRO-4-HYDROXY-2-OXO-2H-CYCLOOCTA(B)PYRAN-3-YL)METHYL)PHENYL)-BENZENESULFONAMIDE

Systematic Name

English

Code System Code Type Description

CAS

166335-18-8

Created by admin on Mon Mar 31 18:02:55 GMT 2025 , Edited by admin on Mon Mar 31 18:02:55 GMT 2025

PRIMARY

FDA UNII

7IW8T16KFS

Created by admin on Mon Mar 31 18:02:55 GMT 2025 , Edited by admin on Mon Mar 31 18:02:55 GMT 2025

PRIMARY

PUBCHEM

54692909

Created by admin on Mon Mar 31 18:02:55 GMT 2025 , Edited by admin on Mon Mar 31 18:02:55 GMT 2025

PRIMARY

Related Record Type Details


					P52PG7AU2E

PNU-103264

ENANTIOMER -> RACEMATE


					NZ85DS1SMJ

PNU-103265

ENANTIOMER -> RACEMATE