PNU-103265

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C28H28N2O5S
Molecular Weight	504.597
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

OC1=C([C@@H](C2CC2)C3=CC(NS(=O)(=O)C4=CC=C(C=C4)C#N)=CC=C3)C(=O)OC5=C1CCCCCC5

InChI

InChIKey=VCYQENLVFRTJIC-VWLOTQADSA-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/t25-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C28H28N2O5S
Molecular Weight	504.597
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	1 / 1
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 13:59:48 GMT 2023` Edited by `admin` on `Sat Dec 16 13:59:48 GMT 2023`
Record UNII	NZ85DS1SMJ
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

PNU-103265

Code

English

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

Systematic Name

English

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

Systematic Name

English

PNU-103017, (-)-

Code

English

Code System Code Type Description

FDA UNII

NZ85DS1SMJ

Created by admin on Sat Dec 16 13:59:48 GMT 2023 , Edited by admin on Sat Dec 16 13:59:48 GMT 2023

PRIMARY

PUBCHEM

54688879

Created by admin on Sat Dec 16 13:59:48 GMT 2023 , Edited by admin on Sat Dec 16 13:59:48 GMT 2023

PRIMARY

EPA CompTox

DTXSID30169533

Created by admin on Sat Dec 16 13:59:48 GMT 2023 , Edited by admin on Sat Dec 16 13:59:48 GMT 2023

PRIMARY

CAS

173140-87-9

Created by admin on Sat Dec 16 13:59:48 GMT 2023 , Edited by admin on Sat Dec 16 13:59:48 GMT 2023

PRIMARY

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PNU-103017

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