Tosylate, Cis-

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C20H19Cl2N3O5S
Molecular Weight	484.353
Optical Activity	( + )
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC[C@H]2CO[C@@](CN3C=NC=N3)(O2)C4=CC=C(Cl)C=C4Cl

InChI

InChIKey=USLNGHIZGCHFQQ-UZLBHIALSA-N

InChI=1S/C20H19Cl2N3O5S/c1-14-2-5-17(6-3-14)31(26,27)29-10-16-9-28-20(30-16,11-25-13-23-12-24-25)18-7-4-15(21)8-19(18)22/h2-8,12-13,16H,9-11H2,1H3/t16-,20+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C20H19Cl2N3O5S
Molecular Weight	484.353
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	2 / 2
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 17:45:44 GMT 2025` Edited by `admin` on `Wed Apr 02 17:45:44 GMT 2025`
Record UNII	W7NHW7NS2R
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Cis-Tosylate

Preferred Name

English

Tosylate, Cis-

Common Name

English

1,3-Dioxolane-4-methanol, 2-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-, 4-methylbenzenesulfonate (ester), (2R,4R)-

Systematic Name

English

1,3-Dioxolane-4-methanol, 2-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-, 4-methylbenzenesulfonate (ester), (2R-cis)-

Systematic Name

English

1,3-Dioxolane-4-methanol, 2-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-, 4-(4-methylbenzenesulfonate), (2R,4R)-

Systematic Name

English

Code System Code Type Description

PUBCHEM

10672491

Created by admin on Wed Apr 02 17:45:44 GMT 2025 , Edited by admin on Wed Apr 02 17:45:44 GMT 2025

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CAS

154003-23-3

Created by admin on Wed Apr 02 17:45:44 GMT 2025 , Edited by admin on Wed Apr 02 17:45:44 GMT 2025

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EPA CompTox

DTXSID80657738

Created by admin on Wed Apr 02 17:45:44 GMT 2025 , Edited by admin on Wed Apr 02 17:45:44 GMT 2025

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FDA UNII

W7NHW7NS2R

Created by admin on Wed Apr 02 17:45:44 GMT 2025 , Edited by admin on Wed Apr 02 17:45:44 GMT 2025

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